pyrrolidine-3-carboxamide hydrochloride

• ChemBase ID: 270897
• Molecular Formular: C5H11ClN2O
• Molecular Mass: 150.60664
• Monoisotopic Mass: 150.05599066
• SMILES: C(=O)(C1CNCC1)N.Cl
• Canonical SMILES: NC(=O)C1CNCC1.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c6-5(8)4-1-2-7-3-4;/h4,7H,1-3H2,(H2,6,8);1H
• InChIKey: GCPFRHSIYOIWDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidine-3-carboxamide hydrochloride
• IUPAC Traditional name: pyrrolidine-3-carboxamide hydrochloride
• Synonyms: pyrrolidine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD17977027
• PubChem SID: 164326807
• PubChem CID: 50988639

CALCULATED PROPERTIES

• Acid pKa: 16.546265
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4499083
• LogD (pH = 7.4): -4.080855
• Log P: -1.2153716
• Molar Refractivity: 30.1425 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): -1.196

Product Information

• Purity: 95%