ChemSpider 2D Image | (R)-2-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)thio)acetic acid | C11H19NO4S

(R)-2-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)thio)acetic acid

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID28297566

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-2-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)thio)acetic acid
{[(3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[(3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
1354010-07-3 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(carboxymethyl)thio]-, 1-(1,1-dimethylethyl) ester, (3R)- [ACD/Index Name]
Acide {[(3R)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]sulfanyl}acétique [French] [ACD/IUPAC Name]
(R)-3-Carboxymethylsulfanyl-pyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-carboxymethylsulfanylpyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-Carboxymethylsulfanyl-pyrrolidine-1-carboxylic acid tert-butyl ester
{[(3R)-1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL]SULFANYL}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: 397.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±6.0 kJ/mol
    Flash Point: 193.9±26.5 °C
    Index of Refraction: 1.541
    Molar Refractivity: 66.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.92
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.42
    ACD/LogD (pH 7.4): -2.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 50.0±5.0 dyne/cm
    Molar Volume: 211.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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