Molecule ID: 500

IUPAC Name: 4-(diaminomethylideneamino)butanoic acid

Description: The molecule is the 4-guanidino derivative of butanoic acid. It has a role as a fungal metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It derives from a butyric acid. It is a conjugate acid of a 4-guanidinobutanoate. It is a tautomer of a 4-guanidinobutanoic acid zwitterion.

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

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

InChI: InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: -1.5