Molecule

ID:136628

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
216.2396889
Exact Mass
216.11279292
Charge
0
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1/i11+1
InChIKey
ZQEBQGAAWMOMAI-PFGINBISSA-N
Canonic Smiles
OC(=O)[C@@H]1CCC[15N]1C(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)[15N]1CCC[C@H]1C(=O)O
Calculated Properties
JChem
Acid pKa
3.97736
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.34517825
LogD (pH = 7.4)
-1.9858598
Log P
1.1860516
Molar Refractivity
53.0594
Polarizability
20.932104
Polar Surface Area
66.84
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
References
Bioactivity
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