2-amino-2-(thiophen-2-yl)propanoic acid

• ChemBase ID: 308850
• Molecular Formular: C7H9NO2S
• Molecular Mass: 171.21686
• Monoisotopic Mass: 171.03539953
• SMILES: C(c1sccc1)(C(=O)O)(N)C
• Canonical SMILES: OC(=O)C(c1cccs1)(N)C
• InChI: InChI=1S/C7H9NO2S/c1-7(8,6(9)10)5-3-2-4-11-5/h2-4H,8H2,1H3,(H,9,10)
• InChIKey: DJXMNZLSBCANRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(thiophen-2-yl)propanoic acid
• IUPAC Traditional name: 2-amino-2-(thiophen-2-yl)propanoic acid
• Synonyms: 2-(2-thienyl)alanine

Database IDs

• MDL Number: MFCD12402128

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1242914
• LogD (pH = 7.4): -1.1490595
• Log P: -1.1246359
• Molar Refractivity: 41.9645 cm^3
• Polarizability: 16.59213 Å^3
• Polar Surface Area: 63.32 Å^2