Molecule

ID:72242

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₃
Molecular Mass
228.2881
Exact Mass
228.14739251
Charge
0
InChI
InChI=1S/C11H20N2O3/c1-4-16-10(14)9-6-5-7-13(8-9)11(15)12(2)3/h9H,4-8H2,1-3H3
InChIKey
XACUGTLIDFTGLI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)C(=O)N(C)C
Isomeric Smiles
C(=O)(N1CC(C(=O)OCC)CCC1)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.26259038
LogD (pH = 7.4)
0.26259053
Log P
0.26259053
Molar Refractivity
60.475
Polarizability
23.418682
Polar Surface Area
49.85
Rotatable Bonds
3
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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