ChemSpider 2D Image | Ethyl 4-[(2S,4R)-4-amino-2-(methylcarbamoyl)-1-pyrrolidinyl]-1-piperidinecarboxylate | C14H26N4O3

Ethyl 4-[(2S,4R)-4-amino-2-(methylcarbamoyl)-1-pyrrolidinyl]-1-piperidinecarboxylate

  • Molecular FormulaC14H26N4O3
  • Average mass298.381 Da
  • Monoisotopic mass298.200500 Da
  • ChemSpider ID29573267

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[(2S,4R)-4-amino-2-[(methylamino)carbonyl]-1-pyrrolidinyl]-, ethyl ester [ACD/Index Name]
4-[(2S,4R)-4-Amino-2-(méthylcarbamoyl)-1-pyrrolidinyl]-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(2S,4R)-4-amino-2-(methylcarbamoyl)-1-pyrrolidinyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(2S,4R)-4-amino-2-(methylcarbamoyl)-1-pyrrolidinyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-{(2S,4R)-4-amino-2-[(methylamino)carbonyl]pyrrolidin-1-yl}piperidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.2±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 252.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement