ChemSpider 2D Image | 2-Methyl-2-propanyl (4S)-2-[(2S,3R)-1-amino-3-hydroxy-1-oxo-2-butanyl]-1-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate | C15H25N3O5

2-Methyl-2-propanyl (4S)-2-[(2S,3R)-1-amino-3-hydroxy-1-oxo-2-butanyl]-1-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

  • Molecular FormulaC15H25N3O5
  • Average mass327.376 Da
  • Monoisotopic mass327.179413 Da
  • ChemSpider ID81367638

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-2-[(2S,3R)-1-Amino-3-hydroxy-1-oxo-2-butanyl]-1-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2,5-Diazaspiro[3.4]octane-5-carboxylic acid, 2-[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]-1-oxo-, 1,1-dimethylethyl ester, (4S)- [ACD/Index Name]
2-Methyl-2-propanyl (4S)-2-[(2S,3R)-1-amino-3-hydroxy-1-oxo-2-butanyl]-1-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4S)-2-[(2S,3R)-1-amino-3-hydroxy-1-oxo-2-butanyl]-1-oxo-2,5-diazaspiro[3.4]octan-5-carboxylat [German] [ACD/IUPAC Name]
2151842-64-5 [RN]
zelquistinel

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 294.9±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 52.05
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 52.05
Polar Surface Area: 113 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 251.6±5.0 cm3

Click to predict properties on the Chemicalize site


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