Molecule

ID:118429

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c1-3-9-5(8)4(7)6-2/h3H2,1-2H3,(H,6,7)
InChIKey
GVQZKKPQRSZDPW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)NC
Isomeric Smiles
C(=O)(C(=O)OCC)NC
Calculated Properties
JChem
Acid pKa
12.532763
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.110982805
LogD (pH = 7.4)
-0.11098561
Log P
-0.110982776
Molar Refractivity
30.6752
Polarizability
12.024231
Polar Surface Area
55.4
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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