1-(pyrrolidin-1-yl)cyclohexane-1-carboxylic acid

• ChemBase ID: 310525
• Molecular Formular: C11H19NO2
• Molecular Mass: 197.27406
• Monoisotopic Mass: 197.14157885
• SMILES: C1(N2CCCC2)(C(=O)O)CCCCC1
• Canonical SMILES: OC(=O)C1(CCCCC1)N1CCCC1
• InChI: InChI=1S/C11H19NO2/c13-10(14)11(6-2-1-3-7-11)12-8-4-5-9-12/h1-9H2,(H,13,14)
• InChIKey: SRNXKDPXXNZGFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-1-yl)cyclohexane-1-carboxylic acid
• IUPAC Traditional name: 1-(pyrrolidin-1-yl)cyclohexane-1-carboxylic acid
• Synonyms: 1-pyrrolidin-1-ylcyclohexanecarboxylic acid

Database IDs

• MDL Number: MFCD05230471

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.62955004
• LogD (pH = 7.4): -0.62949705
• Log P: -0.62947595
• Molar Refractivity: 54.6677 cm^3
• Polarizability: 21.574009 Å^3
• Polar Surface Area: 40.54 Å^2