ChemSpider 2D Image | 2-(3-((TERT-BUTOXYCARBONYL)AMINO)OXETAN-3-YL)ACETIC ACID | C10H17NO5

2-(3-((TERT-BUTOXYCARBONYL)AMINO)OXETAN-3-YL)ACETIC ACID

  • Molecular FormulaC10H17NO5
  • Average mass231.246 Da
  • Monoisotopic mass231.110672 Da
  • ChemSpider ID26635542

More details:






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

[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-oxetanyl]acetic acid [ACD/IUPAC Name]
[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-oxetanyl]essigsäure [German] [ACD/IUPAC Name]
1221715-78-1 [RN]
2-(3-((TERT-BUTOXYCARBONYL)AMINO)OXETAN-3-YL)ACETIC ACID
2-(3-{[(tert-butoxy)carbonyl]amino}oxetan-3-yl)acetic acid
3-Oxetaneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
Acide [3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-oxétanyl]acétique [French] [ACD/IUPAC Name]
MFCD16140246 [MDL number]
(3-tert-Butoxycarbonylamino-oxetan-3-yl)acetic acid
(3-tert-Butoxycarbonylamino-oxetan-3-yl)-acetic acid
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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: 399.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 195.6±25.9 °C
Index of Refraction: 1.499
Molar Refractivity: 55.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 188.1±5.0 cm3

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