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ChemSpider 2D Image | methyl (2R)-[(tert-butoxycarbonyl)amino][(1S,3R)-3-hydroxycyclopentyl]ethanoate | C13H23NO5

methyl (2R)-[(tert-butoxycarbonyl)amino][(1S,3R)-3-hydroxycyclopentyl]ethanoate

  • Molecular FormulaC13H23NO5
  • Average mass273.325 Da
  • Monoisotopic mass273.157623 Da
  • ChemSpider ID23239304

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-[(1S,3R)-3-Hydroxycyclopentyl]({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétate de méthyle [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, methyl ester, (αR,1S,3R)- [ACD/Index Name]
Methyl (2R)-[(1S,3R)-3-hydroxycyclopentyl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetate [ACD/IUPAC Name]
methyl (2R)-[(tert-butoxycarbonyl)amino][(1S,3R)-3-hydroxycyclopentyl]ethanoate
Methyl-(2R)-[(1S,3R)-3-hydroxycyclopentyl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetat [German] [ACD/IUPAC Name]
(R)-tert-Butoxycarbonylamino-((1S,3R)-3-hydroxy-cyclopentyl)-acetic acid methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 195.9±21.8 °C
Index of Refraction: 1.494
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.20
ACD/KOC (pH 5.5): 143.04
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.20
ACD/KOC (pH 7.4): 143.01
Polar Surface Area: 85 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

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