N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 652317
• Molecular Formular: C17H21N3O4
• Molecular Mass: 331.36634
• Monoisotopic Mass: 331.15320617
• SMILES: N1(C(=O)NCC1=O)CC(=O)N[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[C@H]1OCc1ccccc1
• InChI: InChI=1S/C17H21N3O4/c21-15(10-20-16(22)9-18-17(20)23)19-13-7-4-8-14(13)24-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,23)(H,19,21)/t13-,14-/m1/s1
• InChIKey: MEUOHXLQDQFVCA-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(2,5-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.056715
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.31557012
• LogD (pH = 7.4): 0.3155608
• Log P: 0.31557024
• Molar Refractivity: 85.8848 cm^3
• Polarizability: 33.499313 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.24
• LOG S: -3.13
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 6