Molecule

ID:39369

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₄
Molecular Mass
231.28874
Exact Mass
231.14705816
Charge
0
InChI
InChI=1S/C11H21NO4/c1-7(2)8(6-9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKey
LUXMZCJCTUATDM-UHFFFAOYSA-N
Canonic Smiles
CC(C(CC(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
CC(C(CC(=O)O)NC(=O)OC(C)(C)C)C
Calculated Properties
JChem
Acid pKa
4.6527987
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.98167557
LogD (pH = 7.4)
-0.79591185
Log P
1.8857048
Molar Refractivity
58.9902
Polarizability
23.466265
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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