Molecule ID: 558

IUPAC Name: 5-(diaminomethylideneamino)-2-oxopentanoic acid

Description: The molecule 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 derives from 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.

SMILES: N=C(N)NCCCC(=O)C(=O)O

SELFIES: [N][=C][Branch1][C][N][N][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: -1.6