1-cyclopentylpiperidine-3-carboxylic acid

• ChemBase ID: 308391
• Molecular Formular: C11H19NO2
• Molecular Mass: 197.27406
• Monoisotopic Mass: 197.14157885
• SMILES: N1(CC(C(=O)O)CCC1)C1CCCC1
• Canonical SMILES: OC(=O)C1CCCN(C1)C1CCCC1
• InChI: InChI=1S/C11H19NO2/c13-11(14)9-4-3-7-12(8-9)10-5-1-2-6-10/h9-10H,1-8H2,(H,13,14)
• InChIKey: QRNHILMKFWCBSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpiperidine-3-carboxylic acid
• IUPAC Traditional name: 1-cyclopentylpiperidine-3-carboxylic acid
• Synonyms: 1-cyclopentyl-3-piperidinecarboxylic acid

Database IDs

• CAS Number: 897094-36-9
• MDL Number: MFCD09662192

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9649588
• LogD (pH = 7.4): -0.95711344
• Log P: -0.9571336
• Molar Refractivity: 54.6292 cm^3
• Polarizability: 21.574009 Å^3
• Polar Surface Area: 40.54 Å^2