Molecule

ID:82985

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₄
Molecular Mass
189.209
Exact Mass
189.10010797
Charge
0
InChI
InChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-5-6(10)12-4/h5H2,1-4H3,(H,9,11)
InChIKey
PHUZOEOLWIHIKH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC(=O)OC(C)(C)C
Isomeric Smiles
N(C(=O)OC(C)(C)C)CC(=O)OC
Calculated Properties
JChem
Acid pKa
13.462935
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4905159
LogD (pH = 7.4)
0.49051556
Log P
0.4905159
Molar Refractivity
45.6455
Polarizability
18.232151
Polar Surface Area
64.63
Rotatable Bonds
5
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