Molecule

ID:92431

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₃
Molecular Mass
241.32662
Exact Mass
241.1677936
Charge
0
InChI
InChI=1S/C13H23NO3/c1-9(2)11-8-10(15)6-7-14(11)12(16)17-13(3,4)5/h9,11H,6-8H2,1-5H3/t11-/m1/s1
InChIKey
GEHRUAIXGSWYPC-LLVKDONJSA-N
Canonic Smiles
O=C1CCN([C@H](C1)C(C)C)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC(=O)C[C@@H]1C(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.688913
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3773482
LogD (pH = 7.4)
2.3773482
Log P
2.3773482
Molar Refractivity
65.5783
Polarizability
25.933228
Polar Surface Area
46.61
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
Molecule Details
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References
Bioactivity
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