ChemSpider 2D Image | {(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate | C20H27ClN2O5

{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate

  • Molecular FormulaC20H27ClN2O5
  • Average mass410.892 Da
  • Monoisotopic mass410.160858 Da
  • ChemSpider ID25060152
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3-Chlorophényl)acétate de [(2S)-1-(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}glycyl)-2-pyrrolidinyl]méthyle [French] [ACD/IUPAC Name]
[(2S)-1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}glycyl)-2-pyrrolidinyl]methyl (3-chlorophenyl)acetate [ACD/IUPAC Name]
[(2S)-1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}glycyl)-2-pyrrolidinyl]methyl-(3-chlorphenyl)acetat [German] [ACD/IUPAC Name]
{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate
Benzeneacetic acid, 3-chloro-, [(2S)-1-[2-[[(1,1-dimethylethoxy)carbonyl]amino]acetyl]-2-pyrrolidinyl]methyl ester [ACD/Index Name]
[(2S)-1-(2-{[(tert-butoxy)carbonyl]amino}acetyl)pyrrolidin-2-yl]methyl 2-(3-chlorophenyl)acetate
[(2S)-1-{2-[(tert-butoxycarbonyl)amino]acetyl}pyrrolidin-2-yl]methyl 2-(3-chlorophenyl)acetate
M18

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 559.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.4±25.9 °C
Index of Refraction: 1.536
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.58
ACD/KOC (pH 5.5): 1525.20
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.56
ACD/KOC (pH 7.4): 1525.01
Polar Surface Area: 85 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 336.1±3.0 cm3

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