Molecule

ID:57303

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-6(2)4-10-5-7(9(12)13)3-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKey
YWZWNDCJUFFVLP-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CC(CC1=O)C(=O)O)C
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)CC(C)C
Calculated Properties
JChem
Acid pKa
4.490431
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7817705
LogD (pH = 7.4)
-2.5496829
Log P
0.26702192
Molar Refractivity
46.9847
Polarizability
18.36294
Polar Surface Area
57.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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