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Search term: MF = 'C_{15}H_{20}ClNO_{4}'
ChemSpider 2D Image | 3-[(tert-Butoxycarbonyl)amino]-2-(4-chlorobenzyl)propanoic acid | C15H20ClNO4

3-[(tert-Butoxycarbonyl)amino]-2-(4-chlorobenzyl)propanoic acid

  • Molecular FormulaC15H20ClNO4
  • Average mass313.777 Da
  • Monoisotopic mass313.108093 Da
  • ChemSpider ID21373564

More details:

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

2-(4-Chlorbenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
2-(4-Chlorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
3-[(tert-Butoxycarbonyl)amino]-2-(4-chlorobenzyl)propanoic acid
626220-65-3 [RN]
Acide 2-(4-chlorobenzyl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-chloro-α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- [ACD/Index Name]
2-(4-Chlorobenzyl)-3-(Boc-amino)propionic acid
2-(Boc-aminomethyl)-3-(4-chloro-phenyl)-propionic acid
2-(tert-Butoxycarbonylamino-methyl)-3-(4-chloro-phenyl)-propionic acid
2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-3-(4-CHLORO-PHENYL)PROPIONIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 466.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 235.9±27.3 °C
    Index of Refraction: 1.535
    Molar Refractivity: 80.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 7.28
    ACD/KOC (pH 5.5): 58.33
    ACD/LogD (pH 7.4): 0.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.01
    Polar Surface Area: 76 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 44.8±3.0 dyne/cm
    Molar Volume: 257.1±3.0 cm3

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