Molecule

ID:39172

General Information
Structure
Molecular Formula
C₁₀H₁₉NO₅
Molecular Mass
233.26156
Exact Mass
233.12632271
Charge
0
InChI
InChI=1S/C10H19NO5/c1-5-15-6-7(8(12)13)11-9(14)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
KNBDVSSESAKBJM-ZETCQYMHSA-N
Canonic Smiles
CCOC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C(OC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C
Calculated Properties
JChem
Acid pKa
3.9389808
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.70173585
LogD (pH = 7.4)
-2.326606
Log P
0.86641055
Molar Refractivity
56.4138
Polarizability
22.387972
Polar Surface Area
84.86
Rotatable Bonds
7
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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