Molecule

ID:69464

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₆
Molecular Mass
261.27166
Exact Mass
261.12123733
Charge
0
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(15)17-4)5-6-8(13)14/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14)/t7-/m0/s1
InChIKey
ZAYAFKXUQMTLPL-ZETCQYMHSA-N
Canonic Smiles
COC(=O)[C@@H](NC(=O)OC(C)(C)C)CCC(=O)O
Isomeric Smiles
C(=O)(CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
4.2653437
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.55092055
LogD (pH = 7.4)
-2.2818215
Log P
0.70612943
Molar Refractivity
60.9298
Polarizability
24.361143
Polar Surface Area
101.93
Rotatable Bonds
8
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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