Molecule

ID:63239

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-8(7-12)5-9(13)15-4/h8H,5-7H2,1-4H3
InChIKey
OPTPWZDWKAOOPP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(CC(=O)OC)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7282939
LogD (pH = 7.4)
0.7282939
Log P
0.7282939
Molar Refractivity
58.0368
Polarizability
22.996452
Polar Surface Area
55.84
Rotatable Bonds
5
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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