ChemSpider 2D Image | [(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)sulfanyl]acetic acid | C11H19NO4S

[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)sulfanyl]acetic acid

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID28297565

More details:






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

[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-[(carboxymethyl)thio]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide [(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
{[1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL]SULFANYL}ACETIC ACID
1353987-00-4 [RN]
2-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)thio)acetic acid
2-({1-[(TERT-BUTOXY)CARBONYL]PYRROLIDIN-3-YL}SULFANYL)ACETIC ACID
3-carboxymethylsulfanylpyrrolidine-1-carboxylic acid tert-butyl ester
3-Carboxymethylsulfanyl-pyrrolidine-1-carboxylic acid tert-butyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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