Molecule ID: 7058172

IUPAC Name: 2-[diaminomethylidene(methyl)azaniumyl]acetate

Description: The molecule is zwitterionic form of creatine arising from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3. It is a conjugate acid of a creatinate. It is a tautomer of a creatine.

SMILES: CN(CC(=O)O)C([NH-])=[NH2+]

SELFIES: [C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][NH1-1][=NH2+1]

InChI: InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H4,5,6,8,9)

Molecular Properties:
- Polar Surface Area: 95.2 Ų
- LogP: -1.0