Molecule ID: 46173323

IUPAC Name: 5-(diaminomethylideneazaniumyl)-3-methyl-2-oxopentanoate

Description: The molecule is a zwitterion obtained by transfer of a proton from the carboxy to the guanidino group of 5-guanidino-3-methyl-2-oxopentanoic acid; major species at pH 7.3. It is a tautomer of a 5-guanidino-3-methyl-2-oxopentanoic acid.

SMILES: CC(CCNC(=N)N)C(=O)C(=O)O

SELFIES: [C][C][Branch1][=Branch2][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H13N3O3/c1-4(5(11)6(12)13)2-3-10-7(8)9/h4H,2-3H2,1H3,(H,12,13)(H4,8,9,10)

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -0.4