Molecule

ID:78122

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₄
Molecular Mass
218.25022
Exact Mass
218.12665707
Charge
0
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)10-6-7(12)11(4)14-5/h6H2,1-5H3,(H,10,13)
InChIKey
XJVZHKXGDQXSNT-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)CNC(=O)OC(C)(C)C)C
Isomeric Smiles
O(C(=O)NCC(=O)N(C)OC)C(C)(C)C
Calculated Properties
JChem
Acid pKa
13.656262
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.13613427
LogD (pH = 7.4)
0.13613406
Log P
0.13613428
Molar Refractivity
53.8422
Polarizability
21.21696
Polar Surface Area
67.87
Rotatable Bonds
5
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
References
Bioactivity
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