ChemSpider 2D Image | Methyl (2S)-2-[(3S)-3-isopropyl-2-oxo-1-piperazinyl]-3-methylbutanoate | C13H24N2O3

Methyl (2S)-2-[(3S)-3-isopropyl-2-oxo-1-piperazinyl]-3-methylbutanoate

  • Molecular FormulaC13H24N2O3
  • Average mass256.341 Da
  • Monoisotopic mass256.178680 Da
  • ChemSpider ID62765405

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(3S)-3-Isopropyl-2-oxo-1-pipérazinyl]-3-méthylbutanoate de méthyle [French] [ACD/IUPAC Name]
135884-94-5 [RN]
1-Piperazineacetic acid, α,3-bis(1-methylethyl)-2-oxo-, methyl ester, (αS,3S)- [ACD/Index Name]
Methyl (2S)-2-[(3S)-3-isopropyl-2-oxo-1-piperazinyl]-3-methylbutanoate [ACD/IUPAC Name]
Methyl-(2S)-2-[(3S)-3-isopropyl-2-oxo-1-piperazinyl]-3-methylbutanoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 378.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 182.8±26.5 °C
Index of Refraction: 1.468
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.20
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 5.82
ACD/KOC (pH 7.4): 116.48
Polar Surface Area: 59 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 247.6±3.0 cm3

Click to predict properties on the Chemicalize site


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