(1S,3R)-3-amino-N-methyl-N-(quinoxalin-2-ylmethyl)cyclopentane-1-carboxamide

• ChemBase ID: 571921
• Molecular Formular: C16H20N4O
• Molecular Mass: 284.3562
• Monoisotopic Mass: 284.16371128
• SMILES: C(=O)(N(Cc1nc2c(nc1)cccc2)C)[C@@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@@H](C1)C(=O)N(Cc1cnc2c(n1)cccc2)C
• InChI: InChI=1S/C16H20N4O/c1-20(16(21)11-6-7-12(17)8-11)10-13-9-18-14-4-2-3-5-15(14)19-13/h2-5,9,11-12H,6-8,10,17H2,1H3/t11-,12+/m0/s1
• InChIKey: LOQVWQFVZPNDQY-NWDGAFQWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,3R)-3-amino-N-methyl-N-(quinoxalin-2-ylmethyl)cyclopentane-1-carboxamide
• IUPAC Traditional name: (1S,3R)-3-amino-N-methyl-N-(quinoxalin-2-ylmethyl)cyclopentane-1-carboxamide
• Synonyms: (1S*,3R*)-3-amino-N-methyl-N-(2-quinoxalinylmethyl)cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.300365
• LogD (pH = 7.4): -1.8960594
• Log P: 0.7241746
• Molar Refractivity: 79.6703 cm^3
• Polarizability: 32.80339 Å^3
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.09
• LOG S: -2.51
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 3