N-[(1R,3R)-3-aminocyclopentyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

• ChemBase ID: 729499
• Molecular Formular: C15H21N3O
• Molecular Mass: 259.34674
• Monoisotopic Mass: 259.16846231
• SMILES: c1(C(=O)N[C@H]2C[C@H](N)CC2)c2NCCCc2ccc1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1cccc2c1NCCC2
• InChI: InChI=1S/C15H21N3O/c16-11-6-7-12(9-11)18-15(19)13-5-1-3-10-4-2-8-17-14(10)13/h1,3,5,11-12,17H,2,4,6-9,16H2,(H,18,19)/t11-,12-/m1/s1
• InChIKey: BNYRXPWPTFLQKZ-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.510295
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.5771574
• LogD (pH = 7.4): -1.0265515
• Log P: 1.443105
• Molar Refractivity: 77.8341 cm^3
• Polarizability: 29.022451 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 1.85
• LOG S: -2.67
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 2