ChemSpider 2D Image | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine | C18H21N5O2

(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine

  • Molecular FormulaC18H21N5O2
  • Average mass339.392 Da
  • Monoisotopic mass339.169525 Da
  • ChemSpider ID25057734

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
[(3R,4R)-3-Amino-4-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl](2-quinoxalinyl)methanone [ACD/IUPAC Name]
[(3R,4R)-3-Amino-4-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl](2-quinoxalinyl)méthanone [French] [ACD/IUPAC Name]
[(3R,4R)-4-Amino-1-(2-chinoxalinylcarbonyl)-3-pyrrolidinyl](1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(3R,4R)-3-amino-4-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]-2-quinoxalinyl- [ACD/Index Name]
(3R,4R)-4-(pyrrolidine-1-carbonyl)-1-(quinoxaline-2-carbonyl)pyrrolidin-3-amine
(3R,4R)-4-[(pyrrolidin-1-yl)carbonyl]-1-[(quinoxalin-2-yl)carbonyl]pyrrolidin-3-amine
34Q

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.5±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 93.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.96
Polar Surface Area: 92 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site


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