ChemSpider 2D Image | 5-[(2S)-2-{[(5-Aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid | C20H30N2O5

5-[(2S)-2-{[(5-Aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC20H30N2O5
  • Average mass378.463 Da
  • Monoisotopic mass378.215485 Da
  • ChemSpider ID35035672

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[(2S)-2-[[(5-amino-1-oxopentyl)amino]methyl]-4-methylpentyl]- [ACD/Index Name]
5-[(2S)-2-{[(5-Aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(2S)-2-{[(5-Aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(2S)-2-{[(5-aminopentanoyl)amino]méthyl}-4-méthylpentyl]-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
9PA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.1±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 111 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

Click to predict properties on the Chemicalize site


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