ChemSpider 2D Image | MFCD22479159 | C21H30N2O6

MFCD22479159

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID29738394

More details:

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

2-Methyl-2-propanyl 3-({[(benzyloxy)carbonyl]amino}methyl)-3-(2-ethoxy-2-oxoethyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-({[(benzyloxy)carbonyl]amino}methyl)-3-(2-ethoxy-2-oxoethyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-({[(Benzyloxy)carbonyl]amino}méthyl)-3-(2-éthoxy-2-oxoéthyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-3-[[[(phenylmethoxy)carbonyl]amino]methyl]-, ethyl ester [ACD/Index Name]
MFCD22479159
tert-Butyl 3-[(Cbz-amino)methyl]-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
1404194-03-1 [RN]
tert-Butyl 3-((((benzyloxy)carbonyl)amino)methyl)-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
TERT-BUTYL 3-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)-3-(2-ETHOXY-2-OXOETHYL)AZETIDINE-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: 521.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.9±23.2 °C
Index of Refraction: 1.522
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.48
ACD/KOC (pH 5.5): 1406.12
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.48
ACD/KOC (pH 7.4): 1406.11
Polar Surface Area: 94 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 348.8±3.0 cm3

Click to predict properties on the Chemicalize site


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