N-[(1S,2R)-2-aminocyclobutyl]-5-phenoxyfuran-2-carboxamide

• ChemBase ID: 484360
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: c1(C(=O)N[C@@H]2[C@@H](CC2)N)oc(cc1)Oc1ccccc1
• Canonical SMILES: N[C@@H]1CC[C@@H]1NC(=O)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C15H16N2O3/c16-11-6-7-12(11)17-15(18)13-8-9-14(20-13)19-10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7,16H2,(H,17,18)/t11-,12+/m1/s1
• InChIKey: DIQWBROPFBHUCU-NEPJUHHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-aminocyclobutyl]-5-phenoxyfuran-2-carboxamide
• IUPAC Traditional name: N-[(1S,2R)-2-aminocyclobutyl]-5-phenoxyfuran-2-carboxamide
• Synonyms: N-[(1S*,2R*)-2-aminocyclobutyl]-5-phenoxy-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.960738
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5292588
• LogD (pH = 7.4): -0.39165384
• Log P: 1.4257348
• Molar Refractivity: 72.7493 cm^3
• Polarizability: 28.537167 Å^3
• Polar Surface Area: 77.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.69
• LOG S: -2.63
• Polar Surface Area: 77.49 Å^2
• Rotatable Bonds: 4