Molecule

ID:116057

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKey
HRGCBRJWXRHEJU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)CC(=O)O
Isomeric Smiles
N1(CC(=O)O)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
Acid pKa
1.341329
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4837372
LogD (pH = 7.4)
-2.4965253
Log P
-2.4836774
Molar Refractivity
53.9723
Polarizability
21.29902
Polar Surface Area
66.84
Rotatable Bonds
5
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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