ChemSpider 2D Image | (1R,3S)-3-{[4-(Ethoxycarbonyl)-1-piperidinyl]carbonyl}-2,2-dimethylcyclopropanecarboxylic acid | C15H23NO5

(1R,3S)-3-{[4-(Ethoxycarbonyl)-1-piperidinyl]carbonyl}-2,2-dimethylcyclopropanecarboxylic acid

  • Molecular FormulaC15H23NO5
  • Average mass297.347 Da
  • Monoisotopic mass297.157623 Da
  • ChemSpider ID56574591

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-3-{[4-(Ethoxycarbonyl)-1-piperidinyl]carbonyl}-2,2-dimethylcyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,3S)-3-{[4-(Ethoxycarbonyl)-1-piperidinyl]carbonyl}-2,2-dimethylcyclopropanecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[(1S,3R)-3-carboxy-2,2-dimethylcyclopropyl]carbonyl]-, 4-ethyl ester [ACD/Index Name]
Acide (1R,3S)-3-{[4-(éthoxycarbonyl)-1-pipéridinyl]carbonyl}-2,2-diméthylcyclopropanecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 233.6±28.7 °C
Index of Refraction: 1.522
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.14
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 242.8±3.0 cm3

Click to predict properties on the Chemicalize site


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