ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-[(2-amino-2-oxoethyl)(isopropyl)carbamoyl]-1-piperidinecarboxylate | C16H29N3O4

2-Methyl-2-propanyl (2S)-2-[(2-amino-2-oxoethyl)(isopropyl)carbamoyl]-1-piperidinecarboxylate

  • Molecular FormulaC16H29N3O4
  • Average mass327.419 Da
  • Monoisotopic mass327.215820 Da
  • ChemSpider ID30362119

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(2-Amino-2-oxoéthyl)(isopropyl)carbamoyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 2-[[(2-amino-2-oxoethyl)(1-methylethyl)amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-[(2-amino-2-oxoethyl)(isopropyl)carbamoyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-[(2-amino-2-oxoethyl)(isopropyl)carbamoyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL (2S)-2-[(CARBAMOYLMETHYL)(PROPAN-2-YL)CARBAMOYL]PIPERIDINE-1-CARBOXYLATE
TERT-BUTYL (2S)-2-[CARBAMOYLMETHYL(ISOPROPYL)CARBAMOYL]PIPERIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 499.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 256.1±28.7 °C
Index of Refraction: 1.507
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.41
ACD/KOC (pH 5.5): 145.92
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.41
ACD/KOC (pH 7.4): 145.92
Polar Surface Area: 93 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 290.4±3.0 cm3

Click to predict properties on the Chemicalize site


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