ChemSpider 2D Image | [(2R,5S)-5-Benzyl-3,6-dioxo-2-piperazinyl]acetic acid | C13H14N2O4

[(2R,5S)-5-Benzyl-3,6-dioxo-2-piperazinyl]acetic acid

  • Molecular FormulaC13H14N2O4
  • Average mass262.261 Da
  • Monoisotopic mass262.095367 Da
  • ChemSpider ID21509825

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(2R,5S)-5-Benzyl-3,6-dioxo-2-piperazinyl]acetic acid [ACD/IUPAC Name]
[(2R,5S)-5-Benzyl-3,6-dioxo-2-piperazinyl]essigsäure [German] [ACD/IUPAC Name]
2-Piperazineacetic acid, 3,6-dioxo-5-(phenylmethyl)-, (2R,5S)- [ACD/Index Name]
Acide [(2R,5S)-5-benzyl-3,6-dioxo-2-pipérazinyl]acétique [French] [ACD/IUPAC Name]
2-[(2S,5S)-3,6-dioxo-5-benzyl-1,4-diazaperhydroin-2-yl]acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.4±27.3 °C
Index of Refraction: 1.561
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 202.0±3.0 cm3

Click to predict properties on the Chemicalize site


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