2-(1-methylpiperidin-2-yl)acetic acid

• ChemBase ID: 307392
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(C1N(C)CCCC1)C(=O)O
• Canonical SMILES: OC(=O)CC1CCCCN1C
• InChI: InChI=1S/C8H15NO2/c1-9-5-3-2-4-7(9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
• InChIKey: IGBQBRPEHILFLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylpiperidin-2-yl)acetic acid
• IUPAC Traditional name: (1-methylpiperidin-2-yl)acetic acid
• Synonyms: (1-methylpiperidin-2-yl)acetic acid

Database IDs

• CAS Number: 107388-72-7
• MDL Number: MFCD05860069

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9239112
• LogD (pH = 7.4): -1.9157054
• Log P: -1.915237
• Molar Refractivity: 42.5843 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 40.54 Å^2