ChemSpider 2D Image | (3S)-3-Amino-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoic acid | C11H22N2O4

(3S)-3-Amino-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoic acid

  • Molecular FormulaC11H22N2O4
  • Average mass246.303 Da
  • Monoisotopic mass246.157959 Da
  • ChemSpider ID57421144

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-amino-6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 3-amino-6-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)- [ACD/Index Name]
(3S)-3-AMINO-6-[(TERT-BUTOXYCARBONYL)AMINO]HEXANOIC ACID
(3S)-3-AMINO-6-{[(TERT-BUTOXY)CARBONYL]AMINO}HEXANOIC ACID
(S)-3-Amino-6-((tert-butoxycarbonyl)amino)hexanoic acid
(s)-3-amino-6-((tert-butoxycarbonyl)amino)hexanoicacid
1956436-56-8 [RN]
DS-18910
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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: 417.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±6.0 kJ/mol
    Flash Point: 206.5±27.3 °C
    Index of Refraction: 1.485
    Molar Refractivity: 63.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.68
    ACD/LogD (pH 5.5): -2.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 42.9±3.0 dyne/cm
    Molar Volume: 221.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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