ChemSpider 2D Image | (S)-tert-Butyl 3-(3-methylbutanoyl)pyrrolidine-1-carboxylate | C14H25NO3

(S)-tert-Butyl 3-(3-methylbutanoyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC14H25NO3
  • Average mass255.353 Da
  • Monoisotopic mass255.183441 Da
  • ChemSpider ID28295587

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(3-Méthylbutanoyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 3-(3-methylbutanoyl)pyrrolidine-1-carboxylate
1251570-77-0 [RN]
1-Pyrrolidinecarboxylic acid, 3-(3-methyl-1-oxobutyl)-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-(3-methylbutanoyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-(3-methylbutanoyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-1-Boc-3-(3-methylbutanoyl)pyrrolidine
(S)-tert-butyl3-(3-methylbutanoyl)pyrrolidine-1-carboxylate
[1251570-77-0] [RN]
MFCD19441509 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 337.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.1±3.0 kJ/mol
    Flash Point: 157.8±25.9 °C
    Index of Refraction: 1.475
    Molar Refractivity: 69.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 30.35
    ACD/KOC (pH 5.5): 400.50
    ACD/LogD (pH 7.4): 2.25
    ACD/BCF (pH 7.4): 30.35
    ACD/KOC (pH 7.4): 400.50
    Polar Surface Area: 47 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 36.7±3.0 dyne/cm
    Molar Volume: 248.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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