Molecule

ID:64615

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₅
Molecular Mass
258.27102
Exact Mass
258.12157169
Charge
0
InChI
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-5-13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)
InChIKey
UYBMLDXQOFMMED-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1CCN(C1=O)CC(=O)O
Isomeric Smiles
N1(C(=O)C(NC(=O)OC(C)(C)C)CC1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.279368
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.639011
LogD (pH = 7.4)
-3.8669841
Log P
-0.43659425
Molar Refractivity
61.2183
Polarizability
24.06846
Polar Surface Area
95.94
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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