ChemSpider 2D Image | (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclopentanecarboxylic acid | C11H19NO4

(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclopentanecarboxylic acid

  • Molecular FormulaC11H19NO4
  • Average mass229.273 Da
  • Monoisotopic mass229.131409 Da
  • ChemSpider ID26477882

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (3S)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)- [ACD/Index Name]
1379827-26-5 [RN]
MFCD06227845

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.5±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 185.1±24.8 °C
Index of Refraction: 1.495
Molar Refractivity: 58.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.64
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 199.0±5.0 cm3

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