(4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid

• ChemBase ID: 308991
• Molecular Formular: C5H9NO2S
• Molecular Mass: 147.19546
• Monoisotopic Mass: 147.03539953
• SMILES: [C@@H]1(N(CSC1)C)C(=O)O
• Canonical SMILES: CN1CSC[C@H]1C(=O)O
• InChI: InChI=1S/C5H9NO2S/c1-6-3-9-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
• InChIKey: HAWVIMZLOKHWMU-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid
• IUPAC Traditional name: (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid
• Synonyms: (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid

Database IDs

• CAS Number: 60129-40-0
• MDL Number: MFCD13188594

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7665187
• LogD (pH = 7.4): -2.8786116
• Log P: -1.6886784
• Molar Refractivity: 36.1188 cm^3
• Polarizability: 14.364186 Å^3
• Polar Surface Area: 40.54 Å^2