Molecule ID: 189933

IUPAC Name: 2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid

Description: The molecule is 1,3-Thiazolidine substituted with methyl groups at C-2, -5 and -5 and with a carboxy group at C-4, representing the thiazolidine ring of a generalised penicillin structure. It has a role as an allergen. It is a member of thiazolidines and a monocarboxylic acid.

SMILES: CC1NC(C(=O)O)C(C)(C)S1

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

InChI: InChI=1S/C7H13NO2S/c1-4-8-5(6(9)10)7(2,3)11-4/h4-5,8H,1-3H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -1.3