Molecule ID: 586

IUPAC Name: 2-[carbamimidoyl(methyl)amino]acetic acid

Description: The molecule is a glycine derivative having methyl and amidino groups attached to the nitrogen. It has a role as a neuroprotective agent, a nutraceutical, a human metabolite and a mouse metabolite. It is a member of guanidines and a glycine derivative. It is a conjugate acid of a creatinate. It is a tautomer of a creatine zwitterion.

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

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

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

Molecular Properties:
- Polar Surface Area: 90.4 Ų
- LogP: -1.2