ChemSpider 2D Image | (2S)-1-[(Benzyloxy)carbonyl]-N-(2-pyridinyl)-2-pyrrolidinecarboximidic acid | C18H19N3O3

(2S)-1-[(Benzyloxy)carbonyl]-N-(2-pyridinyl)-2-pyrrolidinecarboximidic acid

  • Molecular FormulaC18H19N3O3
  • Average mass325.362 Da
  • Monoisotopic mass325.142639 Da
  • ChemSpider ID21178404

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-[(Benzyloxy)carbonyl]-N-(2-pyridinyl)-2-pyrrolidincarboximidsäure [German] [ACD/IUPAC Name]
(2S)-1-[(Benzyloxy)carbonyl]-N-(2-pyridinyl)-2-pyrrolidinecarboximidic acid [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[(Z)-hydroxy(2-pyridinylimino)methyl]-, phenylmethyl ester, (2S)- [ACD/Index Name]
Acide (2S)-1-[(benzyloxy)carbonyl]-N-(2-pyridinyl)-2-pyrrolidinecarboximidique [French] [ACD/IUPAC Name]
478912-46-8 [RN]
benzyl (2S)-2-[(pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.5±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 91.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 27.30
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 19.47
Polar Surface Area: 75 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 258.1±7.0 cm3

Click to predict properties on the Chemicalize site


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