Molecule

ID:17790

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₄
Molecular Mass
201.2197
Exact Mass
201.10010797
Charge
0
InChI
InChI=1S/C9H15NO4/c1-6(5-14-2)10-4-7(9(12)13)3-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKey
OMDJRWSVGLMXRI-UHFFFAOYSA-N
Canonic Smiles
CC(N1CC(CC1=O)C(=O)O)COC
Isomeric Smiles
N1(CC(CC1=O)C(=O)O)C(COC)C
Calculated Properties
JChem
Acid pKa
4.301995
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.830359
LogD (pH = 7.4)
-3.5692227
Log P
-0.60768175
Molar Refractivity
48.7028
Polarizability
19.111729
Polar Surface Area
66.84
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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