5-Amino-2-oxopentanoic acid
Basic information
- CAS
2000-59-1- Standard SMILES
NCCCC(=O)C(=O)O- InChIKey
BWHGMFYTDQEALD-UHFFFAOYSA-N- Molecular formula
- C5H9NO3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.05824315
Overview
5-amino-2-oxopentanoic acid is the 2-oxo-5-amino derivative of valeric acid. It has a role as a human metabolite. It is a 2-oxo monocarboxylic acid and a delta-amino acid. It is functionally related to a valeric acid. It is a conjugate acid of a 5-amino-2-oxopentanoate. It is a tautomer of a 5-amino-2-oxopentanoic acid zwitterion.
Names & identifiers
- Preferred name
- 5-Amino-2-oxopentanoic acid
- IUPAC
- 5-amino-2-oxopentanoic acid
Names & synonyms
5-Amino-2-oxopentanoic acid2000-59-1CHEBI:49268DTXSID201344320RefChem:1072620DTXCID3014686902-Oxo-5-aminopentanoate2-Oxo-5-amino-pentanoate2-oxo-5-amino-pentanoic acidalpha-Keto-delta-aminopentanoate2-Oxo-5-aminopentanoic acid5-amino-2-oxovaleric acid
Show more names
C011105-Amino-2-oxopentanoicacidSCHEMBL728986Alpha-keto-delta-aminopentanoic acidLMFA01060169Q27121579
Database identifiers
- CAS
2000-59-1- PubChem CID
- 439402
- DTXSID
DTXSID201344320- ChEBI
CHEBI:49268- Nikkaji
- J315.454H
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysD-Arginine and D-Ornithine Metabolism
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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