(S)-5-Oxopyrrolidine-2-carboxamide

HCID 444439

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Basic information

CAS: 16395-57-6
Standard SMILES: NC(=O)[C@@H]1CCC(=O)N1
InChIKey: WGOIHPRRFBCVBZ-VKHMYHEASA-N
Molecular formula: C5H8N2O2
Average molar mass: 128.13 g/mol
Monoisotopic mass: 128.0585775

Names & identifiers

Preferred name: (S)-5-Oxopyrrolidine-2-carboxamide
IUPAC: (2S)-5-oxopyrrolidine-2-carboxamide
English name: L-Pyroglutamamide
Molecular formula: C5H8N2O2
Molecular weight: 128.13

Names & synonyms

(S)-5-Oxopyrrolidine-2-carboxamide16395-57-6L-Pyroglutamamide(2S)-5-oxopyrrolidine-2-carboxamide5-Oxo-L-prolinamide2-Pyrrolidinecarboxamide, 5-oxo-, (2S)-pyroglutamideMFCD00037888L-Pyroglutamic acid amide(S);-5-Oxopyrrolidine-2-carboxamide5-Oxo-L-Prolamide(2S)-5-Oxo-2alpha-pyrrolidinecarboxamide

Show more names

(2S)-5-Oxo-2α-pyrrolidinecarboxamide

2-Pyrrolidinecarboxamide, 5-oxo-, (S)-EY2EP9CF8PSCHEMBL21671L-Pyroglutamamide USP/EP/BPSCHEMBL3128245CHEMBL4243050SCHEMBL10353104L-2-Pyrrolidinone-5-carboxamide

Database identifiers

CAS: 16395-57-6
PubChem CID: 444439
DTXSID: DTXSID80332159
ChEMBL: CHEMBL4243050
UNII: EY2EP9CF8P
Nikkaji: J151.053C

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 148 · 148-150 °C(Solv: methanol (67-56-1))
Boiling point: 515.9 · 515.9±39.0 °C(Predicted)
Density: 1.285 · 1.285±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.9 · 14.90±0.40(Predicted)
Appearance: White to off-white Solid
optical activity: Consistent with structure
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Danger
Hazard statements: 315 · H315-H319-H225
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS02
Hazard statements: H315-H319-H225
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235