Molecule

ID:43812

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂O₅
Molecular Mass
290.35594
Exact Mass
290.18417194
Charge
0
InChI
InChI=1S/C13H26N2O5/c1-12(2,3)19-10(17)14-7-9(16)8-15-11(18)20-13(4,5)6/h9,16H,7-8H2,1-6H3,(H,14,17)(H,15,18)
InChIKey
ZQIPILTVJGFFID-UHFFFAOYSA-N
Canonic Smiles
OC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(NCC(CNC(=O)OC(C)(C)C)O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.082291
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.93141717
LogD (pH = 7.4)
0.93141705
Log P
0.93141717
Molar Refractivity
73.5771
Polarizability
29.190125
Polar Surface Area
96.89
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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