Molecule

ID:38464

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
YBZCSKVLXBOFSL-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCCC1)C(=O)O)OC(C)(C)C
Isomeric Smiles
C1(NC(=O)OC(C)(C)C)(C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
4.001885
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.41979864
LogD (pH = 7.4)
-1.2305171
Log P
1.9274708
Molar Refractivity
57.3294
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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