Molecule

ID:63563

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7-
InChIKey
OPDOEOOBYOABCJ-LJGSYFOKSA-N
Canonic Smiles
N[C@@H]1C[C@H](C1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)N[C@H]1C[C@H](N)C1
Calculated Properties
JChem
Acid pKa
15.218894
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8702562
LogD (pH = 7.4)
-2.1366334
Log P
0.13758339
Molar Refractivity
49.8438
Polarizability
20.017399
Polar Surface Area
64.35
Rotatable Bonds
3
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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