ChemSpider 2D Image | (S)-2-(3,5-dioxopiperazin-1-yl)propanoic acid | C7H10N2O4

(S)-2-(3,5-dioxopiperazin-1-yl)propanoic acid

  • Molecular FormulaC7H10N2O4
  • Average mass186.165 Da
  • Monoisotopic mass186.064056 Da
  • ChemSpider ID23346226

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3,5-Dioxo-1-piperazinyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-(3,5-Dioxo-1-piperazinyl)propansäure [German] [ACD/IUPAC Name]
(2S)-2-(3,5-Dioxopiperazin-1-yl)propanoic acid
(S)-2-(3,5-dioxopiperazin-1-yl)propanoic acid
1-Piperazineacetic acid, α-methyl-3,5-dioxo-, (αS)- [ACD/Index Name]
244161-09-9 [RN]
Acide (2S)-2-(3,5-dioxo-1-pipérazinyl)propanoïque [French] [ACD/IUPAC Name]
(S)-2-(3,5-dioxopiperazin-1-yl)propanoicacid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 441.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±6.0 kJ/mol
Flash Point: 220.6±27.3 °C
Index of Refraction: 1.528
Molar Refractivity: 41.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 133.3±3.0 cm3

Click to predict properties on the Chemicalize site


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