Molecule

ID:37645

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₃
Molecular Mass
241.32662
Exact Mass
241.1677936
Charge
0
InChI
InChI=1S/C13H23NO3/c1-12(2,3)8-13(4,5)14-7-9(11(16)17)6-10(14)15/h9H,6-8H2,1-5H3,(H,16,17)
InChIKey
ADEBQTLEBIFKRN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C(=O)C1)C(CC(C)(C)C)(C)C
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)C(CC(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
4.734035
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7969086
LogD (pH = 7.4)
-0.98033303
Log P
1.6308357
Molar Refractivity
65.1948
Polarizability
25.685606
Polar Surface Area
57.61
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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