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Search term: SWPBVLLEPCHDKU-KXNHARMFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3R,5S)-5-{[(2S)-2-Cyano-1-pyrrolidinyl]carbonyl}-N,N,2-trimethyl-3-pyrrolidinecarboxamide | C14H22N4O2

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

  • Molecular FormulaC14H22N4O2
  • Average mass278.350 Da
  • Monoisotopic mass278.174286 Da
  • ChemSpider ID23319432

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,5S)-5-{[(2S)-2-Cyan-1-pyrrolidinyl]carbonyl}-N,N,2-trimethyl-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(2R,3R,5S)-5-{[(2S)-2-Cyano-1-pyrrolidinyl]carbonyl}-N,N,2-trimethyl-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2R,3R,5S)-5-{[(2S)-2-Cyano-1-pyrrolidinyl]carbonyl}-N,N,2-triméthyl-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(2R,3R,5S)-5-{[(2S)-2-cyanopyrrolidin-1-yl]carbonyl}-N,N,2-trimethylpyrrolidine-3-carboxamide
3-Pyrrolidinecarboxamide, 5-[[(2S)-2-cyano-1-pyrrolidinyl]carbonyl]-N,N,2-trimethyl-, (2R,3R,5S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL409010/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 268.0±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 232.9±5.0 cm3

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