Molecule ID: 46931087

IUPAC Name: (2R)-2-(2-sulfonatoethylazaniumyl)propanoate

Description: The molecule is conjugate base of tauropine in which the carboxy and sulfo groups are anionic and the amino group is protonated; major species at pH 7.3. It is a L-alpha-amino acid anion and an organosulfonate oxoanion. It is a conjugate base of a tauropine.

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

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

InChI: InChI=1S/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)/p-1/t4-/m1/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -3.0