3-(piperidin-2-yl)propanoic acid

• ChemBase ID: 308213
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(CCC1NCCCC1)O
• Canonical SMILES: OC(=O)CCC1CCCCN1
• InChI: InChI=1S/C8H15NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h7,9H,1-6H2,(H,10,11)
• InChIKey: AYRHHRXKZJGDSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-2-yl)propanoic acid
• IUPAC Traditional name: 3-(piperidin-2-yl)propanoic acid
• Synonyms: 3-(2-piperidinyl)propanoic acid

Database IDs

• CAS Number: 4088-33-9
• MDL Number: MFCD03412487

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.790277
• LogD (pH = 7.4): -1.7512211
• Log P: -1.7514981
• Molar Refractivity: 42.0446 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 49.33 Å^2