Molecule

ID:52886

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₅
Molecular Mass
285.33612
Exact Mass
285.15762284
Charge
0
InChI
InChI=1S/C14H23NO5/c1-5-19-11(17)14(8-6-10(16)7-9-14)15-12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,15,18)
InChIKey
GASNSLPKHBHJJV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCC(=O)CC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C1(CCC(=O)CC1)(C(=O)OCC)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.301939
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6955237
LogD (pH = 7.4)
1.6955233
Log P
1.6955237
Molar Refractivity
72.0895
Polarizability
28.608917
Polar Surface Area
81.7
Rotatable Bonds
6
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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