Molecule

ID:77696

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3
InChIKey
JVQOZRRUGOADSU-UHFFFAOYSA-N
Canonic Smiles
O=CC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(C1)C=O
Calculated Properties
JChem
Acid pKa
15.591025
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.42748657
LogD (pH = 7.4)
0.42748657
Log P
0.42748657
Molar Refractivity
47.635
Polarizability
18.603695
Polar Surface Area
46.61
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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