ChemSpider 2D Image | 3-[(R)-{[(tert-butoxy)carbonyl]amino}(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid | C13H19NO6

3-[(R)-{[(tert-butoxy)carbonyl]amino}(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid

  • Molecular FormulaC13H19NO6
  • Average mass285.293 Da
  • Monoisotopic mass285.121246 Da
  • ChemSpider ID48233793

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1993276-98-4 [RN]
3-[(R)-{[(tert-butoxy)carbonyl]amino}(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
3-[(R)-Carboxy({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]bicyclo[1.1.1]pentan-1-carbonsäure [German] [ACD/IUPAC Name]
3-[(R)-Carboxy({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-[(R)-carboxy({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]bicyclo[1.1.1]pentane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-acetic acid, 3-carboxy-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 491.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 251.1±21.8 °C
Index of Refraction: 1.590
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 74.0±3.0 dyne/cm
Molar Volume: 196.6±3.0 cm3

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