Molecule ID: 57339275

IUPAC Name: 2-amino-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylate

Description: The molecule is an amino acid zwitterion obtained from 2-amino-Delta(2)-thiazoline-4-carboxylic acid by the transfer of a proton from the carboxy group to the thiazoline nitrogen. The major species at pH 7.3. It is a tautomer of a 2-amino-Delta(2)-thiazoline-4-carboxylic acid.

SMILES: N=C1NC(C(=O)O)CS1

SELFIES: [N][=C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][Ring1][Branch2]

InChI: InChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 0.2