N-[(1R,3R)-3-aminocyclopentyl]-2-(pyridin-3-yloxy)acetamide

• ChemBase ID: 376079
• Molecular Formular: C12H17N3O2
• Molecular Mass: 235.28228
• Monoisotopic Mass: 235.1320768
• SMILES: C(=O)(N[C@H]1C[C@H](N)CC1)COc1cnccc1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)COc1cccnc1
• InChI: InChI=1S/C12H17N3O2/c13-9-3-4-10(6-9)15-12(16)8-17-11-2-1-5-14-7-11/h1-2,5,7,9-10H,3-4,6,8,13H2,(H,15,16)/t9-,10-/m1/s1
• InChIKey: WMLONDSZXNKUPH-NXEZZACHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2-(pyridin-3-yloxy)acetamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2-(pyridin-3-yloxy)acetamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2-(pyridin-3-yloxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.739279
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.803515
• LogD (pH = 7.4): -3.1896222
• Log P: -0.7190736
• Molar Refractivity: 62.8644 cm^3
• Polarizability: 25.012678 Å^3
• Polar Surface Area: 77.24 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: -0.24
• LOG S: -2.02
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 4