ChemSpider 2D Image | (2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(tetrahydro-2H-pyran-4-yl)acetic acid | C12H21NO5

(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(tetrahydro-2H-pyran-4-yl)acetic acid

  • Molecular FormulaC12H21NO5
  • Average mass259.299 Da
  • Monoisotopic mass259.141968 Da
  • ChemSpider ID28536703

  • 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)(tetrahydro-2H-pyran-4-yl)acetic acid [ACD/IUPAC Name]
(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(tetrahydro-2H-pyran-4-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-, (αS)- [ACD/Index Name]
Acide (2S)-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)(tétrahydro-2H-pyran-4-yl)acétique [French] [ACD/IUPAC Name]
(2S)-[(tert-Butoxycarbonyl)amino](oxan-4-yl)acetic acid
(2s)-2-(tert-butoxycarbonylamino)-2-tetrahydropyran-4-yl-acetic acid
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid
(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-2-(OXAN-4-YL)ACETIC ACID
(S)-[(TERT-BUTOXYCARBONYL)AMINO](OXAN-4-YL)ACETIC ACID
(S)-2-((tert-Butoxycarbonyl)amino)-2-(tetrahydro-2H-pyran-4-yl)acetic 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: 423.5±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±6.0 kJ/mol
    Flash Point: 209.9±21.8 °C
    Index of Refraction: 1.486
    Molar Refractivity: 64.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.34
    ACD/LogD (pH 5.5): -0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 42.9±3.0 dyne/cm
    Molar Volume: 222.6±3.0 cm3

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