ChemSpider 2D Image | (3R)-1-Methyl-3-pyrrolidinyl (2S)-cyclopentyl(hydroxy)phenylacetate | C18H25NO3

(3R)-1-Methyl-3-pyrrolidinyl (2S)-cyclopentyl(hydroxy)phenylacetate

  • Molecular FormulaC18H25NO3
  • Average mass303.396 Da
  • Monoisotopic mass303.183441 Da
  • ChemSpider ID32797947

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-Cyclopentyl(hydroxy)phénylacétate de (3R)-1-méthyl-3-pyrrolidinyle [French] [ACD/IUPAC Name]
(3R)-1-Methyl-3-pyrrolidinyl (2S)-cyclopentyl(hydroxy)phenylacetate [ACD/IUPAC Name]
(3R)-1-Methyl-3-pyrrolidinyl-(2S)-cyclopentyl(hydroxy)phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-cyclopentyl-α-hydroxy-, (3R)-1-methyl-3-pyrrolidinyl ester, (αS)- [ACD/Index Name]
(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(3R)-1-methyl-3-pyrrolidinyl] ester
(2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(3R)-1-methylpyrrolidin-3-yl] ester
[(3R)-1-methylpyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
[(3R)-1-methylpyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate
[(3R)-1-methylpyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-ethanoate
13118-11-1 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCIStruc1_001925 [DBID]
NCIStruc2_001383 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 434.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.7±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 85.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 47.20
Polar Surface Area: 50 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 257.8±5.0 cm3

Click to predict properties on the Chemicalize site


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