Molecule ID: 3082376

IUPAC Name: (2R)-2-(2-sulfoethylamino)propanoic acid

Description: The molecule is a derivative of L-alanine having a 2-sulfoethyl group attached to the alpha-nitrogen. It is a D-alanine derivative, a D-alpha-amino acid and an organosulfonic acid. It derives from a taurine. It is a conjugate acid of a tauropinate(1-).

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]

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)/t4-/m1/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -3.6