ethyl 2-({[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoyl}amino)acetate

• ChemBase ID: 355395
• Molecular Formular: C14H25N3O4
• Molecular Mass: 299.366
• Monoisotopic Mass: 299.1845063
• SMILES: N1(C(=O)CC(C1)NC(=O)NCC(=O)OCC)CC(C)(C)C
• Canonical SMILES: CCOC(=O)CNC(=O)NC1CC(=O)N(C1)CC(C)(C)C
• InChI: InChI=1S/C14H25N3O4/c1-5-21-12(19)7-15-13(20)16-10-6-11(18)17(8-10)9-14(2,3)4/h10H,5-9H2,1-4H3,(H2,15,16,20)
• InChIKey: RJODAQRFMALGKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-({[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoyl}amino)acetate
• IUPAC Traditional name: ethyl 2-({[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoyl}amino)acetate
• Synonyms: ethyl N-({[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]amino}carbonyl)glycinate

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.765491
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.0698448
• LogD (pH = 7.4): -0.069844715
• Log P: -0.06984469
• Molar Refractivity: 76.7814 cm^3
• Polarizability: 30.188177 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.38
• LOG S: -2.74
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5