ChemSpider 2D Image | Methyl (1R,2S)-2-({[(1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclobutyl]carbonyl}amino)cyclobutanecarboxylate | C19H24N2O5

Methyl (1R,2S)-2-({[(1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclobutyl]carbonyl}amino)cyclobutanecarboxylate

  • Molecular FormulaC19H24N2O5
  • Average mass360.404 Da
  • Monoisotopic mass360.168518 Da
  • ChemSpider ID21176389

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S)-2-({[(1R,2S)-2-{[(Benzyloxy)carbonyl]amino}cyclobutyl]carbonyl}amino)cyclobutanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 2-[[[(1R,2S)-2-[[(phenylmethoxy)carbonyl]amino]cyclobutyl]carbonyl]amino]-, methyl ester, (1R,2S)- [ACD/Index Name]
Methyl (1R,2S)-2-({[(1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclobutyl]carbonyl}amino)cyclobutanecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2S)-2-({[(1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclobutyl]carbonyl}amino)cyclobutancarboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL483958/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 552.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 287.9±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 101.92
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 7.89
ACD/KOC (pH 7.4): 105.15
Polar Surface Area: 101 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 266.2±7.0 cm3

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