Molecule

ID:37158

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₄
Molecular Mass
272.34066
Exact Mass
272.17360726
Charge
0
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)14-10-5-7-15(8-6-10)9-11(16)18-4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKey
AAQBBKIVIMLWIK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1CCC(CC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(NC1CCN(CC(=O)OC)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.988437
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.23508632
LogD (pH = 7.4)
0.49255565
Log P
0.517322
Molar Refractivity
71.0966
Polarizability
28.184807
Polar Surface Area
67.87
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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