Molecule

ID:63433

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₂
Molecular Mass
212.2887
Exact Mass
212.15247789
Charge
0
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-9-7-4-12-5-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+
InChIKey
JXWGBEYMMHSBFU-BRPSZJMVSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC[C@@H]1[C@@H]2[C@H]1CNC2
Isomeric Smiles
[C@@H]12[C@@H]([C@H]1CNC(=O)OC(C)(C)C)CNC2
Calculated Properties
JChem
Acid pKa
15.71296
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.890545
LogD (pH = 7.4)
-2.6834998
Log P
0.3480799
Molar Refractivity
57.7052
Polarizability
22.96912
Polar Surface Area
50.36
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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