Molecule

ID:39475

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)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
JQAOHGMPAAWWQO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(C(CC1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.048332
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.16748306
LogD (pH = 7.4)
-1.5000744
Log P
1.6306204
Molar Refractivity
57.6604
Polarizability
22.755922
Polar Surface Area
66.84
Rotatable Bonds
3
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
References
Bioactivity
Navigation