Molecular Identity
alpha-keto-delta-Guanidinovaleric acid
5-(diaminomethylideneamino)-2-oxopentanoic acid
PubChem CID: 558
5-guanidino-2-oxopentanoic acid is a 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a valeric acid. It is a conjugate acid of a 5-guanidino-2-oxopentanoate. It is a tautomer of a 5-guanidino-2-oxopentanoic acid zwitterion.
2D Structure
Properties
C6H11N3O3
Molecular Formula
173.17
Molecular Weight
g/mol
173.0800
Exact Mass
Da
-1.6
XLogP
Drug-like (Lipinski: < 5)
119
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
208
Complexity
SMILES
Canonical SMILES
SMILES: C(CC(=O)C(=O)O)CN=C(N)NIsomeric SMILES
SMILES: C(CC(=O)C(=O)O)CN=C(N)NSynonyms(20)
3715-10-45-carbamimidamido-2-oxopentanoic acidalpha-Keto-delta-guanidinovaleric acid2-Oxo-5-guanidinovaleric acidDTXSID001906325-((Aminoiminomethyl)amino)-2-oxopentanoic acidRefChem:555765DTXCID40113123847-966-72-oxoarginine5-guanidino-2-oxopentanoic aciddelta-Guanido-a-ketovaleric Acid5-(diaminomethylideneamino)-2-oxopentanoic acid5-[(diaminomethylidene)amino]-2-oxopentanoic acid2-Oxo-5-guanidinopentanoate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to alpha-keto-delta-Guanidinovaleric acid
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