ChemSpider 2D Image | 2-Methyl-2-propanyl 3-{[2-(tetrahydro-2H-pyran-2-ylmethoxy)propanoyl]amino}-1-azetidinecarboxylate | C17H30N2O5

2-Methyl-2-propanyl 3-{[2-(tetrahydro-2H-pyran-2-ylmethoxy)propanoyl]amino}-1-azetidinecarboxylate

  • Molecular FormulaC17H30N2O5
  • Average mass342.431 Da
  • Monoisotopic mass342.215485 Da
  • ChemSpider ID30229512

More details:

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

1-Azetidinecarboxylic acid, 3-[[1-oxo-2-[(tetrahydro-2H-pyran-2-yl)methoxy]propyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[2-(tetrahydro-2H-pyran-2-ylmethoxy)propanoyl]amino}-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[2-(tetrahydro-2H-pyran-2-ylmethoxy)propanoyl]amino}-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-{[2-(Tétrahydro-2H-pyran-2-ylméthoxy)propanoyl]amino}-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-[2-(OXAN-2-YLMETHOXY)PROPANAMIDO]AZETIDINE-1-CARBOXYLATE
TERT-BUTYL 3-{2-[(OXAN-2-YL)METHOXY]PROPANAMIDO}AZETIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 508.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.1±30.1 °C
Index of Refraction: 1.510
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 94.10
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 94.10
Polar Surface Area: 77 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 299.7±5.0 cm3

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