ChemSpider 2D Image | 2-Methyl-2-propanyl 2-[({N-[(benzyloxy)carbonyl]-L-alanyl}amino)methyl]-2-(methoxymethyl)-1-pyrrolidinecarboxylate | C23H35N3O6

2-Methyl-2-propanyl 2-[({N-[(benzyloxy)carbonyl]-L-alanyl}amino)methyl]-2-(methoxymethyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC23H35N3O6
  • Average mass449.540 Da
  • Monoisotopic mass449.252594 Da
  • ChemSpider ID65041273

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Pyrrolidinecarboxylic acid, 2-(methoxymethyl)-2-[[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-[({N-[(Benzyloxy)carbonyl]-L-alanyl}amino)méthyl]-2-(méthoxyméthyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[({N-[(benzyloxy)carbonyl]-L-alanyl}amino)methyl]-2-(methoxymethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[({N-[(benzyloxy)carbonyl]-L-alanyl}amino)methyl]-2-(methoxymethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 614.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.2±27.3 °C
Index of Refraction: 1.519
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.47
ACD/KOC (pH 5.5): 509.34
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.46
ACD/KOC (pH 7.4): 509.19
Polar Surface Area: 106 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 392.2±3.0 cm3

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