Molecule

ID:43140

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₃
Molecular Mass
226.27222
Exact Mass
226.13174245
Charge
0
InChI
InChI=1S/C11H18N2O3/c1-5-16-10(14)8-7(4)12-11(15)13-9(8)6(2)3/h6,9H,5H2,1-4H3,(H2,12,13,15)
InChIKey
DDXOEBXUIKNMHW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)NC(=O)NC1C(C)C
Isomeric Smiles
C1(=C(NC(=O)NC1C(C)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.704024
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7601324
LogD (pH = 7.4)
0.7601305
Log P
0.76013243
Molar Refractivity
60.5655
Polarizability
23.170788
Polar Surface Area
67.43
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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