ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-hydroxy-1-(4-methoxybenzyl)-2,5-dioxo-3-pyrrolidinecarboxylate | C17H21NO6

2-Methyl-2-propanyl (3S)-3-hydroxy-1-(4-methoxybenzyl)-2,5-dioxo-3-pyrrolidinecarboxylate

  • Molecular FormulaC17H21NO6
  • Average mass335.352 Da
  • Monoisotopic mass335.136902 Da
  • ChemSpider ID30659189

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-1-(4-méthoxybenzyl)-2,5-dioxo-3-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3S)-3-hydroxy-1-(4-methoxybenzyl)-2,5-dioxo-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-hydroxy-1-(4-methoxybenzyl)-2,5-dioxo-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 513.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.2±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.02
ACD/KOC (pH 5.5): 125.81
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.99
ACD/KOC (pH 7.4): 125.26
Polar Surface Area: 93 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 257.7±3.0 cm3

Click to predict properties on the Chemicalize site


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