ChemSpider 2D Image | Ethyl (1S,2S)-2-{[(1R)-1-phenylethyl]amino}cyclopentanecarboxylate | C16H23NO2

Ethyl (1S,2S)-2-{[(1R)-1-phenylethyl]amino}cyclopentanecarboxylate

  • Molecular FormulaC16H23NO2
  • Average mass261.359 Da
  • Monoisotopic mass261.172882 Da
  • ChemSpider ID78273138

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S)-2-{[(1R)-1-Phényléthyl]amino}cyclopentanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-[[(1R)-1-phenylethyl]amino]-, ethyl ester, (1S,2S)- [ACD/Index Name]
Ethyl (1S,2S)-2-{[(1R)-1-phenylethyl]amino}cyclopentanecarboxylate [ACD/IUPAC Name]
Ethyl-(1S,2S)-2-{[(1R)-1-phenylethyl]amino}cyclopentancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 352.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.2±25.9 °C
Index of Refraction: 1.528
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 4.56
ACD/KOC (pH 7.4): 31.00
Polar Surface Area: 38 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

Click to predict properties on the Chemicalize site


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