N-[(1R,3R)-3-aminocyclopentyl]-2-(2-methyl-1H-1,3-benzodiazol-5-yl)acetamide

• ChemBase ID: 773757
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: n1c([nH]c2c1cc(CC(=O)N[C@H]1C[C@H](N)CC1)cc2)C
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)Cc1ccc2c(c1)nc([nH]2)C
• InChI: InChI=1S/C15H20N4O/c1-9-17-13-5-2-10(6-14(13)18-9)7-15(20)19-12-4-3-11(16)8-12/h2,5-6,11-12H,3-4,7-8,16H2,1H3,(H,17,18)(H,19,20)/t11-,12-/m1/s1
• InChIKey: ZKCIRFKEPKDUPC-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2-(2-methyl-1H-1,3-benzodiazol-5-yl)acetamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2-(2-methyl-1H-1,3-benzodiazol-5-yl)acetamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2-(2-methyl-1H-benzimidazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.677656
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.549922
• LogD (pH = 7.4): -2.2745647
• Log P: 0.22535801
• Molar Refractivity: 77.1323 cm^3
• Polarizability: 31.307188 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.3
• LOG S: -2.24
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 3