Molecule

ID:45570

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c1-4(8)7-6(2,3)5(9)10/h1-3H3,(H,7,8)(H,9,10)
InChIKey
BSIWIVCJKKGHQY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC(C(=O)O)(C)C
Isomeric Smiles
C(C(=O)O)(NC(=O)C)(C)C
Calculated Properties
JChem
Acid pKa
3.9713802
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8640792
LogD (pH = 7.4)
-3.5023549
Log P
-0.32709882
Molar Refractivity
34.6544
Polarizability
13.605074
Polar Surface Area
66.4
Rotatable Bonds
2
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