ChemSpider 2D Image | (3R)-3-Cyclohexyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid | C14H25NO4

(3R)-3-Cyclohexyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

  • Molecular FormulaC14H25NO4
  • Average mass271.353 Da
  • Monoisotopic mass271.178345 Da
  • ChemSpider ID29338787

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Cyclohexyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
(3R)-3-Cyclohexyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-cyclohexyl-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Cyclohexanepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)- [ACD/Index Name]
(3R)-3-[(tert-butoxycarbonyl)amino]-3-cyclohexylpropanoic acid
(3R)-3-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoic acid
(R)-3-(tert-butoxycarbonylamino)-3-cyclohexylpropanoic acid
(R)-3-TERT-BUTOXYCARBONYLAMINO-3-CYCLOHEXYL-PROPIONIC ACID
1260606-26-5 [RN]
MFCD06228078

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

Density: 1.1±0.1 g/cm3
Boiling Point: 424.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±6.0 kJ/mol
Flash Point: 210.4±24.0 °C
Index of Refraction: 1.489
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 8.66
ACD/KOC (pH 5.5): 72.64
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 76 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 248.1±3.0 cm3

Click to predict properties on the Chemicalize site


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