Molecule

ID:51191

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₄
Molecular Mass
201.2197
Exact Mass
201.10010797
Charge
0
InChI
InChI=1S/C9H15NO4/c1-2-14-9(13)10-6-4-3-5-7(10)8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKey
QIINMEGWTDLIJO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCCCC1C(=O)O
Isomeric Smiles
N1(C(=O)OCC)C(C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
3.8959763
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.67610514
LogD (pH = 7.4)
-2.2821968
Log P
0.93346864
Molar Refractivity
48.6034
Polarizability
19.111729
Polar Surface Area
66.84
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
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Molecule Details
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References
Bioactivity
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