1-{3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-6-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 653260
• Molecular Formular: C15H22N2O3
• Molecular Mass: 278.34678
• Monoisotopic Mass: 278.16304257
• SMILES: n1(c(=O)cccc1C)CCC(=O)N1[C@@H](COC)CCC1
• Canonical SMILES: COC[C@H]1CCCN1C(=O)CCn1c(C)cccc1=O
• InChI: InChI=1S/C15H22N2O3/c1-12-5-3-7-14(18)16(12)10-8-15(19)17-9-4-6-13(17)11-20-2/h3,5,7,13H,4,6,8-11H2,1-2H3/t13-/m1/s1
• InChIKey: GYILGLGJGRJFMZ-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-6-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-{3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-6-methylpyridin-2-one
• Synonyms: 1-{3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-6-methylpyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.21660517
• LogD (pH = 7.4): 0.21660526
• Log P: 0.21660526
• Molar Refractivity: 79.4154 cm^3
• Polarizability: 29.54199 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.25
• LOG S: -2.75
• Polar Surface Area: 51.54 Å^2
• Rotatable Bonds: 5