ChemSpider 2D Image | (3S,8aS)-3-(2-Hydroxy-2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C11H18N2O3

(3S,8aS)-3-(2-Hydroxy-2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC11H18N2O3
  • Average mass226.272 Da
  • Monoisotopic mass226.131744 Da
  • ChemSpider ID44210838

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,8aS)-3-(2-Hydroxy-2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3S,8aS)-3-(2-Hydroxy-2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3S,8aS)-3-(2-Hydroxy-2-méthylpropyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-hydroxy-2-methylpropyl)-, (3S,8aS)- [ACD/Index Name]
Cyclo-(L-Pro-4-OH-L-Leu)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 248.7±26.8 °C
Index of Refraction: 1.557
Molar Refractivity: 58.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.43
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.70
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.70
Polar Surface Area: 70 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 180.5±5.0 cm3

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