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

• ChemBase ID: 310523
• Molecular Formular: C10H17NO2
• Molecular Mass: 183.24748
• Monoisotopic Mass: 183.12592879
• SMILES: C1(N2CCCC2)(C(=O)O)CCCC1
• Canonical SMILES: OC(=O)C1(CCCC1)N1CCCC1
• InChI: InChI=1S/C10H17NO2/c12-9(13)10(5-1-2-6-10)11-7-3-4-8-11/h1-8H2,(H,12,13)
• InChIKey: RKEFYANFQKIQCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-1-yl)cyclopentane-1-carboxylic acid
• IUPAC Traditional name: 1-(pyrrolidin-1-yl)cyclopentane-1-carboxylic acid
• Synonyms: 1-pyrrolidin-1-ylcyclopentanecarboxylic acid

Database IDs

• MDL Number: MFCD09055402

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0740987
• LogD (pH = 7.4): -1.0740724
• Log P: -1.0740428
• Molar Refractivity: 50.0667 cm^3
• Polarizability: 19.736694 Å^3
• Polar Surface Area: 40.54 Å^2