ChemSpider 2D Image | (2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-naphthyl)acetic acid | C17H19NO4

(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-naphthyl)acetic acid

  • Molecular FormulaC17H19NO4
  • Average mass301.337 Da
  • Monoisotopic mass301.131409 Da
  • ChemSpider ID21106885

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-naphthyl)acetic acid [ACD/IUPAC Name]
(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-naphthyl)essigsäure [German] [ACD/IUPAC Name]
146621-93-4 [RN]
1-Naphthaleneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)- [ACD/Index Name]
Acide (2S)-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)(1-naphtyl)acétique [French] [ACD/IUPAC Name]
(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-2-(NAPHTHALEN-1-YL)ACETIC ACID
(S)-(BOC)-1-NAPHTHALENEGLYCINE
(S)-[(TERT-BUTOXYCARBONYL)AMINO](NAPHTHALEN-1-YL)ACETIC ACID
(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(NAPHTHALEN-1-YL)ACETIC ACID
1-Naphthaleneaceticacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)-
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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: 495.5±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.4±3.0 kJ/mol
    Flash Point: 253.4±26.8 °C
    Index of Refraction: 1.594
    Molar Refractivity: 83.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.97
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 1.04
    ACD/KOC (pH 5.5): 7.38
    ACD/LogD (pH 7.4): -0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 33.2±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 246.6±3.0 cm3

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