Molecule

ID:116067

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₃
Molecular Mass
244.33056
Exact Mass
244.17869264
Charge
0
InChI
InChI=1S/C12H24N2O3/c1-10(15)9-13-5-7-14(8-6-13)11(16)17-12(2,3)4/h10,15H,5-9H2,1-4H3
InChIKey
IZECLTNHJKKPLG-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CCN(CC1)C(=O)OC(C)(C)C)O
Isomeric Smiles
C(=O)(N1CCN(CC1)CC(O)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.287503
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8646336
LogD (pH = 7.4)
0.5125949
Log P
0.6639072
Molar Refractivity
66.4497
Polarizability
26.169937
Polar Surface Area
53.01
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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