ChemSpider 2D Image | (2S)-2-{[(tert-butoxycarbonyl)amino]methyl}butanoic acid | C10H19NO4

(2S)-2-{[(tert-butoxycarbonyl)amino]methyl}butanoic acid

  • Molecular FormulaC10H19NO4
  • Average mass217.262 Da
  • Monoisotopic mass217.131409 Da
  • ChemSpider ID24582457

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]butanoic acid [ACD/IUPAC Name]
(2S)-2-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]butansäure [German] [ACD/IUPAC Name]
(2S)-2-{[(tert-butoxycarbonyl)amino]methyl}butanoic acid
Acide (2S)-2-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (2S)- [ACD/Index Name]
(2S)?-2-?[[[(1,?1-?dimethylethoxy)?carbonyl]?amino]?methyl]?-Butanoic acid
(2S)-2-({[(tert-butoxy)carbonyl]amino}methyl)butanoic acid
(S)-2-(((tert-Butoxycarbonyl)amino)methyl)butanoic acid
(S)-2-(tert-Butoxycarbonylamino-methyl)-butyric acid
(S)-N-T-BUTYLOXYCARBONYL-2-AMINOMETHYL BUTYRIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 353.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.7±6.0 kJ/mol
Flash Point: 167.3±23.2 °C
Index of Refraction: 1.462
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.99
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 201.0±3.0 cm3

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