1-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 572547
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: N1(C(=O)CC(C1)C(=O)NCCCn1cncc1)C1CC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CC1)NCCCn1cncc1
• InChI: InChI=1S/C14H20N4O2/c19-13-8-11(9-18(13)12-2-3-12)14(20)16-4-1-6-17-7-5-15-10-17/h5,7,10-12H,1-4,6,8-9H2,(H,16,20)
• InChIKey: ODPDXPTWEVXHHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopropyl-N-[3-(imidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.502425
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6609329
• LogD (pH = 7.4): -1.196762
• Log P: -1.1280966
• Molar Refractivity: 73.9765 cm^3
• Polarizability: 28.397682 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -1.36
• LOG S: -1.36
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6