Molecule
ID:118432
General Information
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-5-12-7(11)6(10)9-8(2,3)4/h5H2,1-4H3,(H,9,10)
InChIKey
LASNIDKSJAXDQN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)NC(C)(C)C
Isomeric Smiles
C(=O)(C(=O)OCC)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.382959
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.94297683
LogD (pH = 7.4)
0.9429729
Log P
0.9429769
Molar Refractivity
44.4808
Polarizability
17.487404
Polar Surface Area
55.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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