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Heterocyclic building blocks

Pyronopaline

Also known as N-(4-((Aminoiminomethyl)amino)-1-carboxybutyl)-2-pyrrolidone-5-carboxylic acid, 1-Pyrrolidineacetic acid, alpha-(3-((aminoiminomethyl)amino)propyl)-2-carboxy-5-oxo-, (S-(R*,S*))-, 1-{(1R)-1-carboxy-4-[(diaminomethylidene)amino]butyl}-5-oxo-L-proline

CAS 86630-17-3Formula C11H18N4O5Molar mass 286.29 g/mol
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Pyronopaline chemical structure, C11H18N4O5, CAS 86630-17-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
86630-17-3
Formula
C11H18N4O5
Molar mass
286.29 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is Pyronopaline?

Plain description, key identifiers and synonyms

Pyronopaline is a chemical substance with the molecular formula C11H18N4O5 and a molar mass of 286.29 g/mol. Its CAS registry number is 86630-17-3. The IUPAC name is (2S)-1-[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxopyrrolidine-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-1-[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxopyrrolidine-2-carboxylic acid
CAS number
86630-17-3 CAS number cross-checked
Molecular formula
C11H18N4O5
InChIKey
GTRMYGUJZGMZEF-RQJHMYQMSA-N
InChI
InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m1/s1
Canonical SMILES
NC(N)=NCCCC(C(=O)O)N1C(=O)CCC1C(=O)O
Isomeric SMILES
C1CC(=O)N([C@@H]1C(=O)O)[C@H](CCCN=C(N)N)C(=O)O

Synonyms

  • N-(4-((Aminoiminomethyl)amino)-1-carboxybutyl)-2-pyrrolidone-5-carboxylic acid
  • 1-Pyrrolidineacetic acid, alpha-(3-((aminoiminomethyl)amino)propyl)-2-carboxy-5-oxo-, (S-(R*,S*))-
  • 1-{(1R)-1-carboxy-4-[(diaminomethylidene)amino]butyl}-5-oxo-L-proline

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
286.29 g/molcalc.
Exact mass
286.1277 Dacalc.
LogP (octanol/water)
-1.43calc.
Topological polar surface area
159.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
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, O=C1CCCN1

O=C1CCCN1

1 ring, 6 atoms, the 2-Pyrrolidone ring system.

3,308 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.

Pyronopaline suppliers

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Pyronopaline 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 Pyronopaline 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 Pyronopaline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Pyronopaline?

Pyronopaline is a chemical substance with the molecular formula C11H18N4O5 and a molar mass of 286.29 g/mol. Its CAS registry number is 86630-17-3. The IUPAC name is (2S)-1-[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxopyrrolidine-2-carboxylic acid.

What is the CAS number of Pyronopaline?

The CAS registry number of Pyronopaline is 86630-17-3.

What is the molecular formula and weight of Pyronopaline?

The molecular formula of Pyronopaline is C11H18N4O5 and its molar mass is 286.29 g/mol.

What is Pyronopaline used for?

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

Is Pyronopaline hazardous?

No GHS hazard classification for Pyronopaline 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 Pyronopaline?

Pyronopaline 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 Pyronopaline?

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

What is the price of Pyronopaline?

Suppliers quote Pyronopaline 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 Pyronopaline

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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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