Molecule

ID:36242

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₅
Molecular Mass
298.33488
Exact Mass
298.15287181
Charge
0
InChI
InChI=1S/C14H22N2O5/c1-4-21-13(20)16-7-5-15(6-8-16)11(17)9-10(12(18)19)14(9,2)3/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKey
BMGKEUMSMIKTFE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCN(CC1)C(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCN(C(=O)OCC)CC1)(C)C
Calculated Properties
JChem
Acid pKa
4.099697
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3572539
LogD (pH = 7.4)
-3.0423493
Log P
0.05678376
Molar Refractivity
73.6156
Polarizability
28.821854
Polar Surface Area
87.15
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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