Molecule ID: 36688185

IUPAC Name: (2S)-2-azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate

Description: The molecule is an alpha-amino-acid cation that is the conjugate acid of L-canavanine; major species at pH 7.3. It is a conjugate acid of a L-canavanine and a L-canavanine zwitterion.

SMILES: N=C(N)NOCC[C@H]([NH3+])C(=O)O

SELFIES: [N][=C][Branch1][C][N][N][O][C][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 143.0 Ų
- LogP: -3.4