ChemSpider 2D Image | (3R,4R)-4-Amino-1-[isopropyl(methyl)carbamoyl]-3-pyrrolidinecarboxylic acid | C10H19N3O3

(3R,4R)-4-Amino-1-[isopropyl(methyl)carbamoyl]-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC10H19N3O3
  • Average mass229.276 Da
  • Monoisotopic mass229.142639 Da
  • ChemSpider ID23117314

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-Amino-1-[isopropyl(methyl)carbamoyl]-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4R)-4-Amino-1-[isopropyl(methyl)carbamoyl]-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-amino-1-[[methyl(1-methylethyl)amino]carbonyl]-, (3R,4R)- [ACD/Index Name]
Acide (3R,4R)-4-amino-1-[isopropyl(méthyl)carbamoyl]-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R,4R)-4-amino-1-[methyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
4-Amino-1-(isopropyl-methyl-carbamoyl)-pyrrolidine-3-carboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 411.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±6.0 kJ/mol
Flash Point: 202.9±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 188.0±3.0 cm3

Click to predict properties on the Chemicalize site


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