6-ethyl-4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1,2-dihydropyridin-2-one

• ChemBase ID: 863912
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: c1(C(=O)N2[C@@H](COC)CCC2)cc(=O)[nH]c(c1)CC
• Canonical SMILES: COC[C@H]1CCCN1C(=O)c1cc(CC)[nH]c(=O)c1
• InChI: InChI=1S/C14H20N2O3/c1-3-11-7-10(8-13(17)15-11)14(18)16-6-4-5-12(16)9-19-2/h7-8,12H,3-6,9H2,1-2H3,(H,15,17)/t12-/m1/s1
• InChIKey: RAKDPHGJSJUANM-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 6-ethyl-4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• Synonyms: 6-ethyl-4-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}pyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.937912
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2355067
• LogD (pH = 7.4): 0.23539792
• Log P: 0.23550943
• Molar Refractivity: 74.2579 cm^3
• Polarizability: 27.706339 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.32
• LOG S: -2.17
• Polar Surface Area: 62.4 Å^2
• Rotatable Bonds: 4