ChemSpider 2D Image | 2-({1-[(TERT-BUTOXY)CARBONYL]PIPERIDIN-3-YL}SULFANYL)ACETIC ACID | C12H21NO4S

2-({1-[(TERT-BUTOXY)CARBONYL]PIPERIDIN-3-YL}SULFANYL)ACETIC ACID

  • Molecular FormulaC12H21NO4S
  • Average mass275.364 Da
  • Monoisotopic mass275.119141 Da
  • ChemSpider ID28297571

More details:

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

[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
1353982-03-2 [RN]
1-Piperidinecarboxylic acid, 3-[(carboxymethyl)thio]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
2-({1-[(TERT-BUTOXY)CARBONYL]PIPERIDIN-3-YL}SULFANYL)ACETIC ACID
Acide [(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pipéridinyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
{[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-3-YL]SULFANYL}ACETIC ACID
2-((1-(tert-Butoxycarbonyl)piperidin-3-yl)thio)acetic acid
3-carboxymethylsulfanylpiperidine-1-carboxylic acid tert-butyl ester
3-Carboxymethylsulfanyl-piperidine-1-carboxylic acid tert-butyl ester
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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: 411.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±6.0 kJ/mol
Flash Point: 202.5±27.3 °C
Index of Refraction: 1.536
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 227.5±5.0 cm3

Click to predict properties on the Chemicalize site


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