ChemSpider 2D Image | 1-{2-[(1-Ethoxy-1-oxo-2-pentanyl)amino]propanoyl}octahydro-1H-indole-2-carboxylic acid | C19H32N2O5

1-{2-[(1-Ethoxy-1-oxo-2-pentanyl)amino]propanoyl}octahydro-1H-indole-2-carboxylic acid

  • Molecular FormulaC19H32N2O5
  • Average mass368.468 Da
  • Monoisotopic mass368.231110 Da
  • ChemSpider ID21537408

More details:

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

1-{2-[(1-Ethoxy-1-oxo-2-pentanyl)amino]propanoyl}octahydro-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
1-{2-[(1-Ethoxy-1-oxo-2-pentanyl)amino]propanoyl}octahydro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 1-{2-[(1-éthoxy-1-oxo-2-pentanyl)amino]propanoyl}octahydro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester
(2S,3aS,7aS)-1-[(2R)-2-[[(1S)-1-carbethoxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2R)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2R)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-1-ethoxy-1-oxo-pentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
11H-Indole-2-carboxylic acid, octahydro-1-(2-((1-ethoxycarbonyl)butyl)amino)-1-oxopropyl)-, (2S-(1(R*(R*)),2-α,3a-β,7a-β))-
More...

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

BRN 4300272 [DBID]
S 9490 [DBID]
S-9490 [DBID]
UNII-LUF968K225 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 537.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.1±6.0 kJ/mol
Flash Point: 278.8±28.7 °C
Index of Refraction: 1.512
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.83
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 320.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement