(2S,4R)-4-amino-1-(9H-fluoren-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide

• ChemBase ID: 694904
• Molecular Formular: C20H23N3O
• Molecular Mass: 321.41612
• Monoisotopic Mass: 321.18411237
• SMILES: N1([C@H](C(=O)NC)C[C@H](C1)N)Cc1cc2c(c3c(C2)cccc3)cc1
• Canonical SMILES: CNC(=O)[C@@H]1C[C@H](CN1Cc1ccc2c(c1)Cc1c2cccc1)N
• InChI: InChI=1S/C20H23N3O/c1-22-20(24)19-10-16(21)12-23(19)11-13-6-7-18-15(8-13)9-14-4-2-3-5-17(14)18/h2-8,16,19H,9-12,21H2,1H3,(H,22,24)/t16-,19+/m1/s1
• InChIKey: LZHKHCOLYIRZQD-APWZRJJASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4R)-4-amino-1-(9H-fluoren-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S,4R)-4-amino-1-(9H-fluoren-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
• Synonyms: (4R)-4-amino-1-(9H-fluoren-2-ylmethyl)-N-methyl-L-prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.7788
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3383148
• LogD (pH = 7.4): -0.0122535
• Log P: 1.9383073
• Molar Refractivity: 96.4813 cm^3
• Polarizability: 38.79084 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.67
• LOG S: -4.08
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3