2-cyclopentyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride

• ChemBase ID: 244070
• Molecular Formular: C14H25ClN2O
• Molecular Mass: 272.8141
• Monoisotopic Mass: 272.16554111
• SMILES: N1(C(=O)[C@H]2NCCC2)C(C2CCCC2)CCC1.Cl
• Canonical SMILES: O=C(N1CCCC1C1CCCC1)[C@@H]1CCCN1.Cl
• InChI: InChI=1S/C14H24N2O.ClH/c17-14(12-7-3-9-15-12)16-10-4-8-13(16)11-5-1-2-6-11;/h11-13,15H,1-10H2;1H/t12-,13?;/m0./s1
• InChIKey: JDYPTQPLBHDLEX-NQJMHYHOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride
• IUPAC Traditional name: 2-cyclopentyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride
• Synonyms: 2-cyclopentyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22628438
• PubChem SID: 164299980
• PubChem CID: 71757407

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.5283902
• LogD (pH = 7.4): -0.6793557
• Log P: 1.6785473
• Molar Refractivity: 68.0351 cm^3
• Polarizability: 27.062696 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.184

Product Information

• Purity: 95%