Molecule

ID:42258

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₄
Molecular Mass
244.2875
Exact Mass
244.14230713
Charge
0
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)12-8-9(14)13-4-6-16-7-5-13/h4-8H2,1-3H3,(H,12,15)
InChIKey
FFJJMXIKWJWZBQ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)CNC(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)CNC(=O)OC(C)(C)C)CCOCC1
Calculated Properties
JChem
Acid pKa
13.676142
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.23346911
LogD (pH = 7.4)
-0.2334693
Log P
-0.2334691
Molar Refractivity
61.5665
Polarizability
24.156326
Polar Surface Area
67.87
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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