N-cyclopentylpyrrolidine-3-carboxamide hydrochloride

• ChemBase ID: 62998
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: C(=O)(C1CNCC1)NC1CCCC1.Cl
• Canonical SMILES: O=C(C1CCNC1)NC1CCCC1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c13-10(8-5-6-11-7-8)12-9-3-1-2-4-9;/h8-9,11H,1-7H2,(H,12,13);1H
• InChIKey: YJJMXAWUXHIENY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentylpyrrolidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclopentylpyrrolidine-3-carboxamide hydrochloride
• Synonyms: Pyrrolidine-3-carboxylic acid cyclopentylamide hydrochloride

Database IDs

• MDL Number: MFCD21606237
• PubChem SID: 162028737
• PubChem CID: 67293852

CALCULATED PROPERTIES

• Acid pKa: 15.984333
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8715243
• LogD (pH = 7.4): -2.502267
• Log P: 0.3630063
• Molar Refractivity: 51.4524 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false