Molecule

ID:118842

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₃
Molecular Mass
230.30398
Exact Mass
230.16304257
Charge
0
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)
InChIKey
RAAPXVRHYBAJQU-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(C)(C)C)NC(C(C)(C)C)C(=O)O
Isomeric Smiles
C(=O)(NC(C(=O)O)C(C)(C)C)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.3597517
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.280882
LogD (pH = 7.4)
-1.4689785
Log P
1.4497216
Molar Refractivity
60.7138
Polarizability
23.889353
Polar Surface Area
78.43
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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