ChemSpider 2D Image | 2-Methyl-2-propanyl (3aR,6aS)-5-{2-[4-(ethoxycarbonyl)-1-piperazinyl]-2-oxoethyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | C20H34N4O5

2-Methyl-2-propanyl (3aR,6aS)-5-{2-[4-(ethoxycarbonyl)-1-piperazinyl]-2-oxoethyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

  • Molecular FormulaC20H34N4O5
  • Average mass410.508 Da
  • Monoisotopic mass410.252930 Da
  • ChemSpider ID65249028

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-5-{2-[4-(Éthoxycarbonyl)-1-pipérazinyl]-2-oxoéthyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3aR,6aS)-5-{2-[4-(ethoxycarbonyl)-1-piperazinyl]-2-oxoethyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aR,6aS)-5-{2-[4-(ethoxycarbonyl)-1-piperazinyl]-2-oxoethyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, 5-[2-[4-(ethoxycarbonyl)-1-piperazinyl]-2-oxoethyl]hexahydro-, 1,1-dimethylethyl ester, (3aR,6aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 50.05
Polar Surface Area: 83 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 342.2±3.0 cm3

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