ChemSpider 2D Image | Methyl 1-acetyl-4-(L-valyl)-2-piperazinecarboxylate | C13H23N3O4

Methyl 1-acetyl-4-(L-valyl)-2-piperazinecarboxylate

  • Molecular FormulaC13H23N3O4
  • Average mass285.339 Da
  • Monoisotopic mass285.168854 Da
  • ChemSpider ID28301458

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Acétyl-4-(L-valyl)-2-pipérazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Piperazinecarboxylic acid, 1-acetyl-4-[(2S)-2-amino-3-methyl-1-oxobutyl]-, methyl ester [ACD/Index Name]
Methyl 1-acetyl-4-(L-valyl)-2-piperazinecarboxylate [ACD/IUPAC Name]
Methyl 1-acetyl-4-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-piperazinecarboxylate
Methyl-1-acetyl-4-(L-valyl)-2-piperazincarboxylat [German] [ACD/IUPAC Name]
T6N DNTJ AV1 BVO1 DVYZY1&1 &S Form [WLN]
1-Acetyl-4-[(S)-2-amino-3-methylbutyryl]piperazine-2-carboxylic acid methyl ester
66568147 [PubChem CID]
MFCD21096816 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 464.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.8±28.7 °C
Index of Refraction: 1.508
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 242.6±3.0 cm3

Click to predict properties on the Chemicalize site


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