ChemSpider 2D Image | (2S)-N-Benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]-1-pyrrolidinyl}carbonyl)-1-pyrrolidinecarboxamide | C19H27N3O4

(2S)-N-Benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]-1-pyrrolidinyl}carbonyl)-1-pyrrolidinecarboxamide

  • Molecular FormulaC19H27N3O4
  • Average mass361.435 Da
  • Monoisotopic mass361.200165 Da
  • ChemSpider ID35034896

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-Benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]-1-pyrrolidinyl}carbonyl)-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-Benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]-1-pyrrolidinyl}carbonyl)-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2S)-N-Benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyéthyl]-1-pyrrolidinyl}carbonyl)-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(2s)-N-Benzyl-2-({(2s)-2-[(1r)-1,2-Dihydroxyethyl]pyrrolidin-1-Yl}carbonyl)pyrrolidine-1-Carboxamide
1-Pyrrolidinecarboxamide, 2-[[(2S)-2-[(1R)-1,2-dihydroxyethyl]-1-pyrrolidinyl]carbonyl]-N-(phenylmethyl)-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 695.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 35.60
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.60
Polar Surface Area: 93 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 278.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement