ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(1Z)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxo-1-propen-1-yl]-1-piperidinecarboxylate | C22H30N2O6

2-Methyl-2-propanyl 4-[(1Z)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxo-1-propen-1-yl]-1-piperidinecarboxylate

  • Molecular FormulaC22H30N2O6
  • Average mass418.483 Da
  • Monoisotopic mass418.210388 Da
  • ChemSpider ID24957998

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperidinecarboxylic acid, 4-[(1Z)-3-methoxy-3-oxo-2-[[(phenylmethoxy)carbonyl]amino]-1-propen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(1Z)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxo-1-propen-1-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(1Z)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxo-1-propen-1-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(1Z)-2-{[(Benzyloxy)carbonyl]amino}-3-méthoxy-3-oxo-1-propén-1-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1017789-36-4 [RN]
1-Boc-4-(2-Cbz-Amino-2-methoxycarbonyl-vinyl) piperidine
1-Boc-4-(2-Cbz-Amino-2-methoxycarbonyl-vinyl)piperidine
4-(2-Benzyloxycarbonylamino-2-methoxycarbonyl-vinyl)-piperidine-1-carboxylic acid tert-butyl ester
MFCD09991615
tert-butyl 4-[(1Z)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxoprop-1-en-1-yl]piperidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 538.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.7±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.40
ACD/KOC (pH 5.5): 1966.53
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 275.88
ACD/KOC (pH 7.4): 1934.85
Polar Surface Area: 94 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

Click to predict properties on the Chemicalize site


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