Basic information
- CAS
2002-02-0- Standard SMILES
O=C1CN[C@H](C(=O)O)C1- InChIKey
HFXAFXVXPMUQCQ-BYPYZUCNSA-N- Molecular formula
- C5H7NO3
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.04259308
Overview
4-oxo-L-proline is the L-enantiomer of 4-oxoproline. It is a 4-oxoproline, a non-proteinogenic L-alpha-amino acid and a L-proline derivative. It is a tautomer of a 4-oxo-L-proline zwitterion.
Names & identifiers
- Preferred name
- 4-oxo-L-proline
- IUPAC
- (2S)-4-oxopyrrolidine-2-carboxylic acid
- English name
- 4-Oxo-proline
- Molecular formula
- C5H7NO3
- Molecular weight
- 129.11
Names & synonyms
4-Oxo-L-proline4347-18-6(2S)-4-oxopyrrolidine-2-carboxylic acidCHEBI:16821(2S)-4-oxopyrrolidin-1-ium-2-carboxylateRefChem:1071360(2S)-4-oxopyrrolidine-2-carboxylic acid;4-oxo-L-proline224-409-0(S)-4-Oxopyrrolidine-2-carboxylic acid4-KetoprolineL-Proline, 4-oxo-4-Oxoproline
Show more names
4-Oxo-proline(2S)-4-ketoproline4-OXO-PROLINE USP/EP/BP4-OXO-2-PYRROLIDINECARBOXYLIC ACID
4-KETO-L-PROLINEMFCD07367800EINECS 224-409-0(S)-4-ozopyrrolidine-2-carboxylic acidProline, 4-oxo-4-keto-(L)-prolineC01877SCHEMBL190463
Database identifiers
- CAS
2002-02-0、4347-18-6- PubChem CID
- 107541
- DTXSID
DTXSID20942014- ChEBI
CHEBI:16821- EC Number
- 224-409-0
- Nikkaji
- J205.723I
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 341.8 · 341.8±42.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.26 · 2.26±0.20(Predicted)
Chemistry & industry
Suppliers11 total
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
南京菲泓科技有限公司025-58855213 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Additional notes
DefinitionChEBI: 4-oxoproline is the 4-isomer of oxoproline. It has a role as a metabolite. It is a conjugate acid of a 4-oxoprolinate. It is a tautomer of a 4-oxoproline zwitterion.
Related reactions
5 records
Compound notes
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