Molecule

ID:72247

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-11(2,3)10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
UPRYOSPWSCDFEL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C(=O)C(C)(C)C
Isomeric Smiles
N1(C(=O)C(C)(C)C)CC(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
4.6359334
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5268028
LogD (pH = 7.4)
-1.2504213
Log P
1.4456184
Molar Refractivity
56.1896
Polarizability
22.019754
Polar Surface Area
57.61
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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