Molecule ID: 25203050

IUPAC Name: (2S)-2-(diaminomethylideneazaniumyl)butanedioate

Description: The molecule is conjugate base of N-amidino-L-aspartate arising from deprotonation of the carboxy groups and protonation of the guanidino group; major species at pH 7.3. It is a conjugate base of a N-amidino-L-aspartic acid.

SMILES: N=C(N)N[C@@H](CC(=O)[O-])C(=O)O

SELFIES: [N][=C][Branch1][C][N][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/p-1/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 146.0 Ų
- LogP: -0.7