Molecule

ID:38561

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₄
Molecular Mass
231.28874
Exact Mass
231.14705816
Charge
0
InChI
InChI=1S/C11H21NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
ZIOCIQJXEKFHJO-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C(CC)CC(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.198628
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0050616
LogD (pH = 7.4)
-0.70934385
Log P
2.3250458
Molar Refractivity
59.0963
Polarizability
23.466265
Polar Surface Area
75.63
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
No Data Available
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Molecule Details
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References
Bioactivity
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