ChemSpider 2D Image | 2-{[3-(Dihydroxyboryl)benzoyl]amino}butanoic acid | C11H14BNO5

2-{[3-(Dihydroxyboryl)benzoyl]amino}butanoic acid

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID29364390

More details:

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

2-{[3-(Dihydroxyboryl)benzoyl]amino}butanoic acid [ACD/IUPAC Name]
2-{[3-(Dihydroxyboryl)benzoyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 2-{[3-(dihydroxyboryl)benzoyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[(3-boronobenzoyl)amino]- [ACD/Index Name]
(3-((2-Ethoxy-2-oxoethyl)carbamoyl)phenyl)boronic acid
1072945-97-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 61.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 188.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement