ChemSpider 2D Image | (1R,2S)-2-{[(Benzyloxy)carbonyl]amino}cyclobutanecarboxylic acid | C13H15NO4

(1R,2S)-2-{[(Benzyloxy)carbonyl]amino}cyclobutanecarboxylic acid

  • Molecular FormulaC13H15NO4
  • Average mass249.262 Da
  • Monoisotopic mass249.100113 Da
  • ChemSpider ID21176388

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-{[(Benzyloxy)carbonyl]amino}cyclobutancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclobutane-1-carboxylic acid
(1R,2S)-2-{[(Benzyloxy)carbonyl]amino}cyclobutanecarboxylic acid [ACD/IUPAC Name]
685508-28-5 [RN]
Acide (1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (1R,2S)- [ACD/Index Name]
[685508-28-5] [RN]
cis-2-Benzyloxycarbonylaminocyclobutanecarboxylic acid
cis-2-Benzyloxycarbonylaminocyclobutane-carboxylic acid
cis-2-Benzyloxycarbonylaminocyclobutanecarboxylicacid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 464.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 234.5±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 64.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.69
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 187.9±7.0 cm3

Click to predict properties on the Chemicalize site


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