Molecule

ID:65271

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₄
Molecular Mass
213.2304
Exact Mass
213.10010797
Charge
0
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-4-7(12)6-8(11)13/h4-6H2,1-3H3
InChIKey
SLCAHLSQXDNQSF-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(C(=O)C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(=O)CCN(C1=O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
10.702041
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0154399
LogD (pH = 7.4)
1.0152261
Log P
1.0154426
Molar Refractivity
52.3932
Polarizability
20.565758
Polar Surface Area
63.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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