Molecule ID: 71464644

IUPAC Name: (2R)-2-azaniumyl-3-methylsulfanylbutanedioate

Description: The molecule is an alpha-amino-acid anion obtained by deprotonation of the two carboxy groups and protonation of the amino group of 3-methylthioaspartic acid. It is an alpha-amino-acid anion and a sulfur-containing amino-acid anion. It is a conjugate base of a 3-methylthioaspartic acid.

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

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

InChI: InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/p-1/t2-,3?/m0/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -1.8