ChemSpider 2D Image | [(1R)-1-({3-(2-Methoxyphenyl)-3-[(3-pyridinylcarbonyl)amino]propanoyl}amino)-3-methylbutyl]boronic acid | C21H28BN3O5

[(1R)-1-({3-(2-Methoxyphenyl)-3-[(3-pyridinylcarbonyl)amino]propanoyl}amino)-3-methylbutyl]boronic acid

  • Molecular FormulaC21H28BN3O5
  • Average mass413.275 Da
  • Monoisotopic mass413.212189 Da
  • ChemSpider ID26378161

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(1R)-1-({3-(2-Methoxyphenyl)-3-[(3-pyridinylcarbonyl)amino]propanoyl}amino)-3-methylbutyl]boronic acid [ACD/IUPAC Name]
[(1R)-1-({3-(2-Methoxyphenyl)-3-[(3-pyridinylcarbonyl)amino]propanoyl}amino)-3-methylbutyl]borsäure [German] [ACD/IUPAC Name]
Acide [(1R)-1-({3-(2-méthoxyphényl)-3-[(3-pyridinylcarbonyl)amino]propanoyl}amino)-3-méthylbutyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1R)-1-[[3-(2-methoxyphenyl)-1-oxo-3-[(3-pyridinylcarbonyl)amino]propyl]amino]-3-methylbutyl]- [ACD/Index Name]

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: 1.555
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.13
ACD/KOC (pH 5.5): 308.42
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.20
ACD/KOC (pH 7.4): 309.42
Polar Surface Area: 121 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 347.7±3.0 cm3

Click to predict properties on the Chemicalize site


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