ChemSpider 2D Image | [5-({1-[({1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl}methyl)amino]-3-hydroxy-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid | C29H32N4O10

[5-({1-[({1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl}methyl)amino]-3-hydroxy-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid

  • Molecular FormulaC29H32N4O10
  • Average mass596.585 Da
  • Monoisotopic mass596.211853 Da
  • ChemSpider ID121098070

More details:

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

[5-({1-[({1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl}methyl)amino]-3-hydroxy-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid [ACD/IUPAC Name]
[5-({1-[({1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl}methyl)amino]-3-hydroxy-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]essigsäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[2-[[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl]methyl]amino]-1-(hydroxymethyl)-2-oxoethyl]amino]carbonyl]-1,3-dihydro-1,3-dioxo- [ACD/Index Name]
Acide [5-({1-[({1-[2-(3,4-diméthoxyphényl)éthyl]-5-oxo-3-pyrrolidinyl}méthyl)amino]-3-hydroxy-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 935.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.8±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 148.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

Click to predict properties on the Chemicalize site


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