Basic information
- Standard SMILES
CC(=O)C(N)C(=O)O- InChIKey
SAUCHDKDCUROAO-UHFFFAOYSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259308
Overview
2-amino-3-oxobutanoic acid is an alpha-amino acid that is acetoacetic acid which is substituted by an amino group at position 2. It is a 3-oxo monocarboxylic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a butyric acid.
Names & identifiers
- Preferred name
- 2-Amino-3-oxobutanoic acid
- IUPAC
- 2-amino-3-oxobutanoic acid
- English name
- Butanoic acid, 2-amino-3-oxo- (9CI)
- Molecular formula
- C4H7NO3
- Molecular weight
- 117.1
Names & synonyms
2-amino-3-oxobutanoic acid6531-42-62-amino-3-ketobutyrate2-AkbtCHEBI:17844DTXSID70983937RefChem:909527DTXCID601316301Butanoic acid, 2-amino-3-oxo-2-amino-3-oxobutanoate2-amino-acetoacetate2-amino-3-oxobutanoicacid
Show more names
Butanoic acid, 2-amino-3-oxo- (9CI)
2-acetyl-amino-acetic acidSCHEMBL188494CHEMBL1160073SAUCHDKDCUROAO-UHFFFAOYSA-NPD040704CS-0312320C03214EN300-145187
Database identifiers
- CAS
6531-42-6- PubChem CID
- 219
- DTXSID
DTXSID70983937- ChEMBL
CHEMBL1160073- ChEBI
CHEBI:17844- Nikkaji
- J439.241H
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
Chemistry & industry
Suppliers5 total
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Additional notes
DefinitionChEBI: An alpha-amino acid that is acetoacetic acid which is substituted by an amino group at position 2.
Related reactions
0 records
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Linked notes
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