ChemSpider 2D Image | 2-Methyl-2-propanyl (2R)-2-{[1-hydroxy-3-(4-morpholinyl)-2-propanyl]carbamoyl}-1-azetidinecarboxylate | C16H29N3O5

2-Methyl-2-propanyl (2R)-2-{[1-hydroxy-3-(4-morpholinyl)-2-propanyl]carbamoyl}-1-azetidinecarboxylate

  • Molecular FormulaC16H29N3O5
  • Average mass343.419 Da
  • Monoisotopic mass343.210724 Da
  • ChemSpider ID65224643

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-{[1-Hydroxy-3-(4-morpholinyl)-2-propanyl]carbamoyl}-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Azetidinecarboxylic acid, 2-[[[2-hydroxy-1-(4-morpholinylmethyl)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2R)- [ACD/Index Name]
2-Methyl-2-propanyl (2R)-2-{[1-hydroxy-3-(4-morpholinyl)-2-propanyl]carbamoyl}-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R)-2-{[1-hydroxy-3-(4-morpholinyl)-2-propanyl]carbamoyl}-1-azetidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 292.1±30.1 °C
Index of Refraction: 1.526
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.68
Polar Surface Area: 91 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 284.8±3.0 cm3

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