Molecule

ID:77340

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKey
RNJQBGXOSAQQDG-YUMQZZPRSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H]1CC[C@@H](C1)C(=O)O
Isomeric Smiles
O=C([C@H]1CC[C@@H](C1)NC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
4.478376
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.38433668
LogD (pH = 7.4)
-1.3822997
Log P
1.4440849
Molar Refractivity
57.4449
Polarizability
22.755922
Polar Surface Area
75.63
Rotatable Bonds
4
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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