ChemSpider 2D Image | (6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid | C12H19NO4

(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID22837221
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
(6S)-5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptan-6-carbonsäure [German] [ACD/IUPAC Name]
(6S)-5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-6-carboxylic acid [ACD/IUPAC Name]
1129634-44-1 [RN]
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, (6S)- [ACD/Index Name]
Acide (6S)-5-{[(2-méthyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-6-carboxylique [French] [ACD/IUPAC Name]
(6S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
(6S)-5-Azaspiro[2.4]heptane-6-carboxylic acid N-BOC protected
(6S)-5-Azaspiro[2.4]heptane-6-carboxylic acid, N-BOC protected
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 377.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 182.1±25.9 °C
Index of Refraction: 1.536
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.53
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 195.2±5.0 cm3

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