Molecule

ID:63599

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-4-5-8(13)11-6-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)
InChIKey
KBNSUMIBERIFIT-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(CN1)NC(=O)OC(C)(C)C
Isomeric Smiles
C1(=O)NCC(CC1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.267585
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.1752712
LogD (pH = 7.4)
0.1752713
Log P
0.17527135
Molar Refractivity
54.7509
Polarizability
21.589672
Polar Surface Area
67.43
Rotatable Bonds
3
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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