ChemSpider 2D Image | compound 3b [PMID: 24946214] | C17H23BN2O4

compound 3b [PMID: 24946214]

  • Molecular FormulaC17H23BN2O4
  • Average mass330.186 Da
  • Monoisotopic mass330.175079 Da
  • ChemSpider ID34220070

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(1R)-3-Methyl-1-{[3-(1-oxo-2(1H)-isochinolinyl)propanoyl]amino}butyl]borsäure [German] [ACD/IUPAC Name]
[(1R)-3-Methyl-1-{[3-(1-oxo-2(1H)-isoquinolinyl)propanoyl]amino}butyl]boronic acid [ACD/IUPAC Name]
Acide [(1R)-3-méthyl-1-{[3-(1-oxo-2(1H)-isoquinoléinyl)propanoyl]amino}butyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1R)-3-methyl-1-[[1-oxo-3-(1-oxo-2(1H)-isoquinolinyl)propyl]amino]butyl]- [ACD/Index Name]
compound 3b [PMID: 24946214]
[(1R)-3-methyl-1-[3-(1-oxoisoquinolin-2-yl)propanoylamino]butyl]boronic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.554
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.36
ACD/KOC (pH 5.5): 234.36
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.31
ACD/KOC (pH 7.4): 233.63
Polar Surface Area: 90 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 277.4±3.0 cm3

Click to predict properties on the Chemicalize site


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