Molecule

ID:38429

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-HTQZYQBOSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@H]1CCC[C@H]1C(=O)O
Isomeric Smiles
C1CC[C@H]([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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation