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Aliphatic and alicyclic building blocks

Atagabalin

Also known as 2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid, Atagabalina, Atagabaline

CAS 223445-75-8Formula C10H19NO2Molar mass 185.27 g/mol
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Atagabalin chemical structure, C10H19NO2, CAS 223445-75-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
223445-75-8
Formula
C10H19NO2
Molar mass
185.27 g/mol
HS code
292249
Category
Aliphatic and alicyclic building blocks

What is Atagabalin?

Plain description, key identifiers and synonyms

Atagabalin is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
CAS number
223445-75-8 CAS number cross-checked
Molecular formula
C10H19NO2
UNII
JT7957Q2FB
InChIKey
IUVMAUQEZFTTFB-YUMQZZPRSA-N
InChI
InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1
Canonical SMILES
CC1CC(CN)(CC(=O)O)CC1C
Isomeric SMILES
C[C@H]1CC(C[C@@H]1C)(CC(=O)O)CN

Synonyms

  • 2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
  • Atagabalina
  • Atagabaline
  • 2-((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)acetic acid
  • ((3S,4S)-1-Aminomethyl-3,4-dimethylcyclopentyl)acetic acid
  • atagabalinum
  • PD 0200390
  • trans-dimethyl gababutin
  • [(3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
  • (3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
  • Cyclopentaneacetic acid, 1-(aminomethyl)-3,4-dimethyl-, (3S,4S)-
  • ((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)acetic acid
  • Atagabalin (USAN/INN)
  • PD-0200,390
  • (1-aminomethyl-3,4-dimethylcyclopentyl)acetic acid
  • 2-((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)aceticacid
  • 3,4-trans-2-(1-(aminomethyl)-3,4-dimethylcyclopentyl)acetic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
185.27 g/molcalc.
Exact mass
185.1416 Dacalc.
LogP (octanol/water)
1.47calc.
Topological polar surface area
63.32 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCCC1

C1CCCC1

1 ring, 5 atoms, the Cyclopentane ring system.

10,985 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Atagabalin suppliers

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Atagabalin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Atagabalin is traded under.

HS 2922.49Indicative HS code

Amino-acids, other than those containing more than one kind of oxygen function, and…

World exports in 2024
$3.88B
−11.5% vs 2023, imports $3.87B
2019 to 2024
Top exporters
  1. China38.7%
  2. India * partner reported8.3%
  3. Germany8.1%
Top importers
  1. United States13.4%
  2. Germany11.1%
  3. Japan6.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Atagabalin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Atagabalin, based on the data on this page

What is Atagabalin?

Atagabalin is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.

What is the CAS number of Atagabalin?

The CAS registry number of Atagabalin is 223445-75-8.

What is the molecular formula and weight of Atagabalin?

The molecular formula of Atagabalin is C10H19NO2 and its molar mass is 185.27 g/mol.

What is Atagabalin used for?

Known uses and roles of Atagabalin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Atagabalin hazardous?

No GHS hazard classification for Atagabalin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Atagabalin?

Atagabalin is usually classified under HS code 292249 (Amino-acids, other than those containing more than one kind of oxygen function, and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Atagabalin?

Post a free request on CompoundList and suppliers of Atagabalin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Atagabalin?

Suppliers quote Atagabalin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Atagabalin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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