Molecule ID: 28125547

IUPAC Name: (2S,3S)-2-azaniumyl-3-methylbutanedioate

Description: The molecule is conjugate base of threo-3-methyl-L-aspartic acid. It is a conjugate base of a threo-3-methyl-L-aspartic acid. It is a conjugate acid of a threo-3-methyl-L-aspartate(2-).

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

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

InChI: InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/p-1/t2-,3-/m0/s1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: -2.0