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Screening compounds

Orb2815490

Also known as beta-Alanine, N-[[[(3S)-1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-, N-[[[(3S)-1-[4-(Aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-beta-alanine

CAS 199530-77-3Formula C15H19N5O4Molar mass 333.35 g/mol
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Orb2815490 chemical structure, C15H19N5O4, CAS 199530-77-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
199530-77-3
Formula
C15H19N5O4
Molar mass
333.35 g/mol
HS code
293379
Category
Screening compounds

What is Orb2815490?

Plain description, key identifiers and synonyms

Orb2815490 is a chemical substance with the molecular formula C15H19N5O4 and a molar mass of 333.35 g/mol. Its CAS registry number is 199530-77-3. The IUPAC name is 3-[[(3S)-1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[[(3S)-1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CAS number
199530-77-3
Molecular formula
C15H19N5O4
UNII
S3AU39T8Q2
InChIKey
IABQKQBHADWIGO-NSHDSACASA-N
InChI
InChI=1S/C15H19N5O4/c16-13(17)9-1-3-10(4-2-9)20-8-6-11(14(20)23)19-15(24)18-7-5-12(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,21,22)(H2,18,19,24)/t11-/m0/s1
Canonical SMILES
N=C(N)c1ccc(N2CCC(NC(=O)NCCC(=O)O)C2=O)cc1
Isomeric SMILES
C1CN(C(=O)[C@H]1NC(=O)NCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Synonyms

  • beta-Alanine, N-[[[(3S)-1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-
  • N-[[[(3S)-1-[4-(Aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-beta-alanine

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
333.35 g/molcalc.
Exact mass
333.1437 Dacalc.
LogP (octanol/water)
-0.15calc.
Topological polar surface area
148.6 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1CCCN1c1ccccc1

O=C1CCCN1c1ccccc1

2 rings, 12 atoms, the 1-Phenylpyrrolidin-2-one ring system.

1,574 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.

Orb2815490 suppliers

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Orb2815490 price

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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 Orb2815490 is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2815490 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2815490, based on the data on this page

What is Orb2815490?

Orb2815490 is a chemical substance with the molecular formula C15H19N5O4 and a molar mass of 333.35 g/mol. Its CAS registry number is 199530-77-3. The IUPAC name is 3-[[(3S)-1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid.

What is the CAS number of Orb2815490?

The CAS registry number of Orb2815490 is 199530-77-3.

What is the molecular formula and weight of Orb2815490?

The molecular formula of Orb2815490 is C15H19N5O4 and its molar mass is 333.35 g/mol.

What is Orb2815490 used for?

Known uses and roles of Orb2815490 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2815490 hazardous?

No GHS hazard classification for Orb2815490 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 Orb2815490?

Orb2815490 is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2815490?

Post a free request on CompoundList and suppliers of Orb2815490 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2815490?

Suppliers quote Orb2815490 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 Orb2815490

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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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