ChemSpider 2D Image | 1-[(2R,4R)-4-Carboxy-2-methylpentanoyl]-2-indolinecarboxylic acid | C16H19NO5

1-[(2R,4R)-4-Carboxy-2-methylpentanoyl]-2-indolinecarboxylic acid

  • Molecular FormulaC16H19NO5
  • Average mass305.326 Da
  • Monoisotopic mass305.126312 Da
  • ChemSpider ID23121947

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydro-1H-indole-2-carboxylic acid
1-[(2R,4R)-4-Carboxy-2-methylpentanoyl]-2-indolincarbonsäure [German] [ACD/IUPAC Name]
1-[(2R,4R)-4-Carboxy-2-methylpentanoyl]-2-indolinecarboxylic acid [ACD/IUPAC Name]
1H-Indole-1-pentanoic acid, 2-carboxy-2,3-dihydro-α,γ-dimethyl-δ-oxo-, (αR,γR)- [ACD/Index Name]
Acide 1-[(2R,4R)-4-carboxy-2-méthylpentanoyl]-2-indolinecarboxylique [French] [ACD/IUPAC Name]
1-(4-Carboxy-2-methyl-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
1-[(2R,4R)-4-carboxy-2,4-dimethylbutanoyl]-2,3-dihydro-1H-indole-2-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.1±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 77.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 231.0±3.0 cm3

Click to predict properties on the Chemicalize site


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