Molecule ID: 7048563

IUPAC Name: 2-[[amino-(phosphonatoamino)methylidene]-methylazaniumyl]acetate

Description: The molecule is dianion of N-phosphocreatine arising from deprotonation of the phospho and carboxy groups and protonation of the guanidino group; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a N-phosphocreatine.

SMILES: CN(CC(=O)[O-])C(=N)[N-]P(=O)(O)O

SELFIES: [C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=N][N-1][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H5,5,6,8,9,10,11,12)/p-2

Molecular Properties:
- Polar Surface Area: 144.0 Ų
- LogP: -2.4