ChemSpider 2D Image | 1-[N-Methyl-N-(methylsulfonyl)glycyl-N-methylglycyl]-3-piperidinecarboxylic acid | C13H23N3O6S

1-[N-Methyl-N-(methylsulfonyl)glycyl-N-methylglycyl]-3-piperidinecarboxylic acid

  • Molecular FormulaC13H23N3O6S
  • Average mass349.403 Da
  • Monoisotopic mass349.130768 Da
  • ChemSpider ID54375500

More details:






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

1-[N-Methyl-N-(methylsulfonyl)glycyl-N-methylglycyl]-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[N-Methyl-N-(methylsulfonyl)glycyl-N-methylglycyl]-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[2-[methyl[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetyl]- [ACD/Index Name]
Acide 1-[N-méthyl-N-(méthylsulfonyl)glycyl-N-méthylglycyl]-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 598.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 315.9±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 256.2±3.0 cm3

Click to predict properties on the Chemicalize site






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