methyl (2R)-2-amino-3-(methylsulfanyl)propanoate

• ChemBase ID: 308389
• Molecular Formular: C5H11NO2S
• Molecular Mass: 149.21134
• Monoisotopic Mass: 149.0510496
• SMILES: C(=O)([C@@H](N)CSC)OC
• Canonical SMILES: CSC[C@@H](C(=O)OC)N
• InChI: InChI=1S/C5H11NO2S/c1-8-5(7)4(6)3-9-2/h4H,3,6H2,1-2H3/t4-/m0/s1
• InChIKey: OMBVLJSHPJLTKD-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-2-amino-3-(methylsulfanyl)propanoate
• IUPAC Traditional name: methyl (2R)-2-amino-3-(methylsulfanyl)propanoate
• Synonyms: methyl S-methyl-L-cysteinate

Database IDs

• CAS Number: 3830-10-2
• MDL Number: MFCD14702855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5405077
• LogD (pH = 7.4): -0.15589252
• Log P: 0.0027439208
• Molar Refractivity: 37.6437 cm^3
• Polarizability: 15.314055 Å^3
• Polar Surface Area: 52.32 Å^2