2-(methylamino)-2-(thiophen-2-yl)acetic acid

• ChemBase ID: 310474
• Molecular Formular: C7H9NO2S
• Molecular Mass: 171.21686
• Monoisotopic Mass: 171.03539953
• SMILES: C(c1sccc1)(C(=O)O)NC
• Canonical SMILES: CNC(c1cccs1)C(=O)O
• InChI: InChI=1S/C7H9NO2S/c1-8-6(7(9)10)5-3-2-4-11-5/h2-4,6,8H,1H3,(H,9,10)
• InChIKey: CWIHHMWYPLTVMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-2-(thiophen-2-yl)acetic acid
• IUPAC Traditional name: (methylamino)(thiophen-2-yl)acetic acid
• Synonyms: (methylamino)(2-thienyl)acetic acid

Database IDs

• MDL Number: MFCD08060075

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3357034
• LogD (pH = 7.4): -1.3404291
• Log P: -1.3357627
• Molar Refractivity: 42.0258 cm^3
• Polarizability: 16.5922 Å^3
• Polar Surface Area: 49.33 Å^2