ChemSpider 2D Image | {[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)methyl]sulfanyl}acetic acid | C12H21NO4S

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

  • Molecular FormulaC12H21NO4S
  • Average mass275.364 Da
  • Monoisotopic mass275.119141 Da
  • ChemSpider ID28297568

More details:

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

{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)methyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)methyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[(carboxymethyl)thio]methyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide {[(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)méthyl]sulfanyl}acétique [French] [ACD/IUPAC Name]
({[1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-2-YL]METHYL}SULFANYL)ACETIC ACID
1353971-02-4 [RN]
2-[({1-[(TERT-BUTOXY)CARBONYL]PYRROLIDIN-2-YL}METHYL)SULFANYL]ACETIC ACID
2-Carboxymethylsulfanylmethylpyrrolidine-1-carboxylic acid tert-butyl ester
2-Carboxymethylsulfanylmethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
MFCD21092873

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

Density: 1.2±0.1 g/cm3
Boiling Point: 406.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.2±6.0 kJ/mol
Flash Point: 199.6±21.8 °C
Index of Refraction: 1.525
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.66
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 229.6±3.0 cm3

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