N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-(1H-imidazol-1-yl)butanamide

• ChemBase ID: 407727
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(C[C@@H]([C@H](C1)NC(=O)CCCn1cncc1)C1CC1)C1CCCC1
• Canonical SMILES: O=C(N[C@H]1CN(C[C@@H]1C1CC1)C1CCCC1)CCCn1cncc1
• InChI: InChI=1S/C19H30N4O/c24-19(6-3-10-22-11-9-20-14-22)21-18-13-23(16-4-1-2-5-16)12-17(18)15-7-8-15/h9,11,14-18H,1-8,10,12-13H2,(H,21,24)/t17-,18+/m1/s1
• InChIKey: PKBNSJIVLSGVFK-MSOLQXFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-(1H-imidazol-1-yl)butanamide
• IUPAC Traditional name: N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-(imidazol-1-yl)butanamide
• Synonyms: N-[(3R*,4S*)-1-cyclopentyl-4-cyclopropyl-3-pyrrolidinyl]-4-(1H-imidazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.750825
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3973498
• LogD (pH = 7.4): -0.83548623
• Log P: 1.5675763
• Molar Refractivity: 94.9301 cm^3
• Polarizability: 37.154877 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.61
• LOG S: -2.98
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7