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ChemSpider 2D Image | (3S,5S)-5-{[(2S)-2-Cyano-1-pyrrolidinyl]carbonyl}-N-ethyl-3-pyrrolidinecarboxamide | C13H20N4O2

(3S,5S)-5-{[(2S)-2-Cyano-1-pyrrolidinyl]carbonyl}-N-ethyl-3-pyrrolidinecarboxamide

  • Molecular FormulaC13H20N4O2
  • Average mass264.323 Da
  • Monoisotopic mass264.158630 Da
  • ChemSpider ID23291658

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,5S)-5-{[(2S)-2-Cyan-1-pyrrolidinyl]carbonyl}-N-ethyl-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S,5S)-5-{[(2S)-2-Cyano-1-pyrrolidinyl]carbonyl}-N-ethyl-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S,5S)-5-{[(2S)-2-Cyano-1-pyrrolidinyl]carbonyl}-N-éthyl-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3S,5S)-5-{[(2S)-2-cyanopyrrolidin-1-yl]carbonyl}-N-ethylpyrrolidine-3-carboxamide
3-Pyrrolidinecarboxamide, 5-[[(2S)-2-cyano-1-pyrrolidinyl]carbonyl]-N-ethyl-, (3S,5S)- [ACD/Index Name]
CHEMBL232316

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

Density: 1.2±0.1 g/cm3
Boiling Point: 580.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.8±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 217.2±5.0 cm3

Click to predict properties on the Chemicalize site


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