ChemSpider 2D Image | (S)-tert-Butyl 3-(3-methylthiophene-2-carboxamido)pyrrolidine-1-carboxylate | C15H22N2O3S

(S)-tert-Butyl 3-(3-methylthiophene-2-carboxamido)pyrrolidine-1-carboxylate

  • Molecular FormulaC15H22N2O3S
  • Average mass310.412 Da
  • Monoisotopic mass310.135101 Da
  • ChemSpider ID28303792

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[(3-Méthyl-2-thiényl)carbonyl]amino}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 3-(3-methylthiophene-2-carboxamido)pyrrolidine-1-carboxylate
1354010-01-7 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[(3-methyl-2-thienyl)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-{[(3-methyl-2-thienyl)carbonyl]amino}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-{[(3-methyl-2-thienyl)carbonyl]amino}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-[(3-methylthiophene-2-carbonyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-[(3-methyl-thiophene-2-carbonyl)-amino]pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-[(3-Methyl-thiophene-2-carbonyl)-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester
(s)-tert-butyl3-(3-methylthiophene-2-carboxamido)pyrrolidine-1-carboxylate
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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: 456.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 229.7±28.7 °C
    Index of Refraction: 1.562
    Molar Refractivity: 83.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.10
    ACD/LogD (pH 5.5): 2.67
    ACD/BCF (pH 5.5): 63.40
    ACD/KOC (pH 5.5): 678.46
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 63.40
    ACD/KOC (pH 7.4): 678.46
    Polar Surface Area: 87 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 48.5±5.0 dyne/cm
    Molar Volume: 256.7±5.0 cm3

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