ChemSpider 2D Image | Methyl (4R)-1-methyl-4-{[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}-L-prolinate | C11H18N4O4S

Methyl (4R)-1-methyl-4-{[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}-L-prolinate

  • Molecular FormulaC11H18N4O4S
  • Average mass302.350 Da
  • Monoisotopic mass302.104889 Da
  • ChemSpider ID29666262

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-Méthyl-4-{[(1-méthyl-1H-imidazol-4-yl)sulfonyl]amino}-L-prolinate de méthyle [French] [ACD/IUPAC Name]
L-Proline, 1-methyl-4-[[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino]-, methyl ester, (4R)- [ACD/Index Name]
Methyl (4R)-1-methyl-4-{[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}-L-prolinate [ACD/IUPAC Name]
Methyl-(4R)-1-methyl-4-{[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}-L-prolinat [German] [ACD/IUPAC Name]
methyl (2S,4R)-1-methyl-4-{[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}pyrrolidine-2-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 491.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 251.1±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 73.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.86
Polar Surface Area: 102 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 205.2±7.0 cm3

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