(2R)-2-(methoxymethyl)-1-(5-methyl-2-phenylfuran-3-carbonyl)pyrrolidine

• ChemBase ID: 855859
• Molecular Formular: C18H21NO3
• Molecular Mass: 299.36424
• Monoisotopic Mass: 299.15214354
• SMILES: c1(C(=O)N2[C@@H](COC)CCC2)c(oc(c1)C)c1ccccc1
• Canonical SMILES: COC[C@H]1CCCN1C(=O)c1cc(oc1c1ccccc1)C
• InChI: InChI=1S/C18H21NO3/c1-13-11-16(17(22-13)14-7-4-3-5-8-14)18(20)19-10-6-9-15(19)12-21-2/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3/t15-/m1/s1
• InChIKey: ZLYOXQXEGGCZES-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(methoxymethyl)-1-(5-methyl-2-phenylfuran-3-carbonyl)pyrrolidine
• IUPAC Traditional name: (2R)-2-(methoxymethyl)-1-(5-methyl-2-phenylfuran-3-carbonyl)pyrrolidine
• Synonyms: (2R)-2-(methoxymethyl)-1-(5-methyl-2-phenyl-3-furoyl)pyrrolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5968606
• LogD (pH = 7.4): 2.5968606
• Log P: 2.5968606
• Molar Refractivity: 85.8613 cm^3
• Polarizability: 33.76155 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.34
• LOG S: -3.38
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 4