Molecule

ID:45766

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c1-3-5(8)7-4(2)6(9)10/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
INPGLFHHFHOGRM-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)NC(=O)CC
Isomeric Smiles
C(=O)(C(NC(=O)CC)C)O
Calculated Properties
JChem
Acid pKa
4.0172224
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5522853
LogD (pH = 7.4)
-3.2084384
Log P
-0.059328865
Molar Refractivity
34.568
Polarizability
13.605074
Polar Surface Area
66.4
Rotatable Bonds
3
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
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References
Bioactivity
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