ChemSpider 2D Image | Benzyl (2S)-2-[(5-methyl-2-pyridinyl)carbamoyl]-1-pyrrolidinecarboxylate | C19H21N3O3

Benzyl (2S)-2-[(5-methyl-2-pyridinyl)carbamoyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC19H21N3O3
  • Average mass339.388 Da
  • Monoisotopic mass339.158295 Da
  • ChemSpider ID21178724

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(5-Méthyl-2-pyridinyl)carbamoyl]-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[(5-methyl-2-pyridinyl)amino]carbonyl]-, phenylmethyl ester, (2S)- [ACD/Index Name]
Benzyl (2S)-2-[(5-methyl-2-pyridinyl)carbamoyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2S)-2-[(5-methyl-2-pyridinyl)carbamoyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.7±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 26.83
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 23.61
Polar Surface Area: 75 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 273.3±7.0 cm3

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