ChemSpider 2D Image | {(1S)-1-[(2,6-Dimethoxybenzoyl)amino]ethyl}boronic acid | C11H16BNO5

{(1S)-1-[(2,6-Dimethoxybenzoyl)amino]ethyl}boronic acid

  • Molecular FormulaC11H16BNO5
  • Average mass253.059 Da
  • Monoisotopic mass253.112152 Da
  • ChemSpider ID26326770
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid
{(1S)-1-[(2,6-Dimethoxybenzoyl)amino]ethyl}boronic acid [ACD/IUPAC Name]
{(1S)-1-[(2,6-Dimethoxybenzoyl)amino]ethyl}borsäure [German] [ACD/IUPAC Name]
Acide {(1S)-1-[(2,6-diméthoxybenzoyl)amino]éthyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1S)-1-[(2,6-dimethoxybenzoyl)amino]ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.520
Molar Refractivity: 64.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 60.96
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 60.72
Polar Surface Area: 88 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 211.6±3.0 cm3

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