Molecule

ID:39176

General Information
Structure
Molecular Formula
C₁₀H₁₉NO₅
Molecular Mass
233.26156
Exact Mass
233.12632271
Charge
0
InChI
InChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)
InChIKey
VWSUOKFUIPMDDX-UHFFFAOYSA-N
Canonic Smiles
COC(C(C(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
C(C(C)OC)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9349575
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.64584196
LogD (pH = 7.4)
-2.269003
Log P
0.9261776
Molar Refractivity
56.084
Polarizability
22.387972
Polar Surface Area
84.86
Rotatable Bonds
6
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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