ChemSpider 2D Image | (3-Methyl-1-{[3-(2-pyridinyl)-N-(2-quinolinylcarbonyl)alanyl]amino}butyl)boronic acid | C23H27BN4O4

(3-Methyl-1-{[3-(2-pyridinyl)-N-(2-quinolinylcarbonyl)alanyl]amino}butyl)boronic acid

  • Molecular FormulaC23H27BN4O4
  • Average mass434.296 Da
  • Monoisotopic mass434.212524 Da
  • ChemSpider ID24700438

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1-{[N-(2-Chinolinylcarbonyl)-3-(2-pyridinyl)alanyl]amino}-3-methylbutyl)borsäure [German] [ACD/IUPAC Name]
(3-Methyl-1-{[3-(2-pyridinyl)-N-(2-quinolinylcarbonyl)alanyl]amino}butyl)boronic acid [ACD/IUPAC Name]
Acide (3-méthyl-1-{[3-(2-pyridinyl)-N-(2-quinoléinylcarbonyl)alanyl]amino}butyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-methyl-1-[[1-oxo-3-(2-pyridinyl)-2-[(2-quinolinylcarbonyl)amino]propyl]amino]butyl]- [ACD/Index Name]
(R)-3-methyl-1-((S)-3-(pyridin-2-yl)-2-(quinoline-2-carboxamido)propanamido)butylboronic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL483061/

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: 1.605
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 20.63
ACD/KOC (pH 5.5): 288.06
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.68
ACD/KOC (pH 7.4): 344.61
Polar Surface Area: 124 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 350.6±3.0 cm3

Click to predict properties on the Chemicalize site


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