N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,6-dihydroxybenzamide

• ChemBase ID: 352150
• Molecular Formular: C13H16N2O4
• Molecular Mass: 264.27714
• Monoisotopic Mass: 264.111007
• SMILES: C(=O)(c1c(O)cccc1O)NC1CC(=O)N(C1)CC
• Canonical SMILES: CCN1CC(CC1=O)NC(=O)c1c(O)cccc1O
• InChI: InChI=1S/C13H16N2O4/c1-2-15-7-8(6-11(15)18)14-13(19)12-9(16)4-3-5-10(12)17/h3-5,8,16-17H,2,6-7H2,1H3,(H,14,19)
• InChIKey: UEPVDNILIULJJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,6-dihydroxybenzamide
• IUPAC Traditional name: N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,6-dihydroxybenzamide
• Synonyms: N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,6-dihydroxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.037884
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.3396394
• LogD (pH = 7.4): 1.2507417
• Log P: 1.3408872
• Molar Refractivity: 68.8443 cm^3
• Polarizability: 25.978783 Å^3
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.31
• LOG S: -1.67
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 3