ChemSpider 2D Image | (2R)-2-(4-Fluorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid | C15H20FNO4

(2R)-2-(4-Fluorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

  • Molecular FormulaC15H20FNO4
  • Average mass297.322 Da
  • Monoisotopic mass297.137634 Da
  • ChemSpider ID44750970

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(4-Fluorbenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
(2R)-2-(4-Fluorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
Acide (2R)-2-(4-fluorobenzyl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-fluoro-, (αR)- [ACD/Index Name]
(2R)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-[(4-FLUOROPHENYL)METHYL]PROPANOIC ACID
(2R)-3-{[(TERT-BUTOXY)CARBONYL]AMINO}-2-[(4-FLUOROPHENYL)METHYL]PROPANOIC ACID
(R)-2-(tert-Butoxycarbonylamino-methyl)-3-(4-fluoro-phenyl)-propionic acid
(R)-3-((tert-Butoxycarbonyl)amino)-2-(4-fluorobenzyl)propanoic acid
(R)-3-(TERT-BUTOXYCARBONYLAMINO)-2-(4-FLUOROBENZYL)PROPANOIC ACID
[1260615-25-5] [RN]
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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: 445.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.2±3.0 kJ/mol
    Flash Point: 223.3±27.3 °C
    Index of Refraction: 1.514
    Molar Refractivity: 75.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 4.38
    ACD/KOC (pH 5.5): 41.51
    ACD/LogD (pH 7.4): -0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 42.4±3.0 dyne/cm
    Molar Volume: 249.4±3.0 cm3

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