Molecule

ID:40066

General Information
Structure
Molecular Formula
C₁₁H₁₇NO₅
Molecular Mass
243.25638
Exact Mass
243.11067265
Charge
0
InChI
InChI=1S/C11H17NO5/c1-17-11(16)8-4-6-12(7-5-8)9(13)2-3-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKey
WQYMZROBPAITIQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)C(=O)CCC(=O)O
Isomeric Smiles
N1(C(=O)CCC(=O)O)CCC(C(=O)OC)CC1
Calculated Properties
JChem
Acid pKa
4.0999455
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9528711
LogD (pH = 7.4)
-3.6380467
Log P
-0.53906876
Molar Refractivity
58.3036
Polarizability
22.90177
Polar Surface Area
83.91
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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