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Search term: RLONFFSCDFOPJV-AWEZNQCLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | tert-butyl 1-(2-methylbenzyl)-5-oxo-L-prolinate | C17H23NO3

tert-butyl 1-(2-methylbenzyl)-5-oxo-L-prolinate

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID23287430

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-Méthylbenzyl)-5-oxo-L-prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-(2-methylbenzyl)-5-oxo-L-prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-(2-methylbenzyl)-5-oxo-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, 1-[(2-methylphenyl)methyl]-5-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 1-(2-methylbenzyl)-5-oxo-L-prolinate
(S)-1-(2-methyl-benzyl)-5-oxo-pyrrolidine-2-carboxylic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL396740/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.2±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 208.82
ACD/KOC (pH 5.5): 1592.55
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 208.82
ACD/KOC (pH 7.4): 1592.55
Polar Surface Area: 47 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 258.0±3.0 cm3

Click to predict properties on the Chemicalize site


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