Molecule

ID:38431

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)12-8-6-4-5-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChIKey
BUEPEVBYNBQNED-SFYZADRCSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H]1CCC[C@H]1C(=O)O
Isomeric Smiles
[C@H]1(CCC[C@@H]1NC(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.457254
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5209839
LogD (pH = 7.4)
-1.2432277
Log P
1.5999924
Molar Refractivity
57.2909
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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