N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(3-fluorophenyl)propanamide

• ChemBase ID: 785107
• Molecular Formular: C19H27FN2O2
• Molecular Mass: 334.4282832
• Monoisotopic Mass: 334.20565633
• SMILES: [C@H]1([C@@H](NC(=O)CCc2cc(F)ccc2)CN(C1)CCOC)C1CC1
• Canonical SMILES: COCCN1C[C@@H]([C@H](C1)C1CC1)NC(=O)CCc1cccc(c1)F
• InChI: InChI=1S/C19H27FN2O2/c1-24-10-9-22-12-17(15-6-7-15)18(13-22)21-19(23)8-5-14-3-2-4-16(20)11-14/h2-4,11,15,17-18H,5-10,12-13H2,1H3,(H,21,23)/t17-,18+/m1/s1
• InChIKey: UUCORWRWOSVAMI-MSOLQXFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(3-fluorophenyl)propanamide
• IUPAC Traditional name: N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(3-fluorophenyl)propanamide
• Synonyms: N-[(3R*,4S*)-4-cyclopropyl-1-(2-methoxyethyl)-3-pyrrolidinyl]-3-(3-fluorophenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.095976
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.73905087
• LogD (pH = 7.4): 0.9680685
• Log P: 2.2820544
• Molar Refractivity: 92.2949 cm^3
• Polarizability: 35.897045 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.93
• LOG S: -3.29
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8