ChemSpider 2D Image | 4-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)carbamoyl)-1H-imidazole-5-carboxylic acid | C14H20N4O5

4-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)carbamoyl)-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC14H20N4O5
  • Average mass324.332 Da
  • Monoisotopic mass324.143372 Da
  • ChemSpider ID28539513

More details:

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

1417793-25-9 [RN]
1H-Imidazole-4-carboxylic acid, 5-[[[1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]amino]carbonyl]- [ACD/Index Name]
4-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)carbamoyl)-1H-imidazole-5-carboxylic acid
4-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)carbamoyl]-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)carbamoyl]-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)carbamoyl]-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
4-({1-[(TERT-BUTOXY)CARBONYL]PYRROLIDIN-3-YL}CARBAMOYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
5-(1-tert-Butoxycarbonylpyrrolidin-3-ylcarbamoyl)-3H-imidazole-4-carboxylic acid
5-(1-tert-Butoxycarbonyl-pyrrolidin-3-ylcarbamoyl)-3H-imidazole-4-carboxylic acid
5-{[1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL]CARBAMOYL}-3H-IMIDAZOLE-4-CARBOXYLIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 629.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 233.4±5.0 cm3

Click to predict properties on the Chemicalize site


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