Molecule

ID:116892

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₅
Molecular Mass
245.27226
Exact Mass
245.12632271
Charge
0
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-7(8(13)14)6-16-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1
InChIKey
XUYBSTJQGVZMSK-ZETCQYMHSA-N
Canonic Smiles
O=C(N1[C@@H](COC1(C)C)C(=O)O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)COC1(C)C
Calculated Properties
JChem
Acid pKa
3.863929
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.49103
LogD (pH = 7.4)
-2.082403
Log P
1.1494503
Molar Refractivity
59.2665
Polarizability
23.503712
Polar Surface Area
76.07
Rotatable Bonds
3
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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