ChemSpider 2D Image | 4-({[(2R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-piperidinyl]carbonyl}amino)benzoic acid | C18H24N2O5

4-({[(2R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-piperidinyl]carbonyl}amino)benzoic acid

  • Molecular FormulaC18H24N2O5
  • Average mass348.394 Da
  • Monoisotopic mass348.168518 Da
  • ChemSpider ID32807734

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 2-[[(4-carboxyphenyl)amino]carbonyl]-, 1-(1,1-dimethylethyl) ester, (2R)- [ACD/Index Name]
4-({[(2R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-piperidinyl]carbonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
4-({[(2R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-piperidinyl]carbonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 4-({[(2R)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-pipéridinyl]carbonyl}amino)benzoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.2±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 7.81
ACD/KOC (pH 5.5): 65.67
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 96 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 275.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement