ChemSpider 2D Image | 1-(1,1-Dimethylethyl) 2-methyl 4-[(2S)-2-amino-3-methyl-1-oxobutyl]-1,2-piperazinedicarboxylate | C16H29N3O5

1-(1,1-Dimethylethyl) 2-methyl 4-[(2S)-2-amino-3-methyl-1-oxobutyl]-1,2-piperazinedicarboxylate

  • Molecular FormulaC16H29N3O5
  • Average mass343.419 Da
  • Monoisotopic mass343.210724 Da
  • ChemSpider ID28301449
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

1-(1,1-Dimethylethyl) 2-methyl 4-[(2S)-2-amino-3-methyl-1-oxobutyl]-1,2-piperazinedicarboxylate [Wiki]
1,2-Piperazinedicarboxylic acid, 4-[(2S)-2-amino-3-methyl-1-oxobutyl]-, 1-(1,1-dimethylethyl) 2-methyl ester [ACD/Index Name]
4-(L-Valyl)-1,2-pipérazinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
T6N DNTJ AVOX1&1&1 BVO1 DVYZY1&1 &&S Form [WLN]
2-Methyl 1-(2-methyl-2-propanyl) 4-(L-valyl)-1,2-piperazinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-4-(L-valyl)-1,2-piperazindicarboxylat [German] [ACD/IUPAC Name]
4-[(S)-2-Amino-3-methylbutyryl]piperazine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
66568139 [PubChem CID]
MFCD21096808 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.3±28.7 °C
Index of Refraction: 1.501
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 102 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 298.6±3.0 cm3

Click to predict properties on the Chemicalize site






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