Molecule

ID:45650

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₄
Molecular Mass
161.15584
Exact Mass
161.06880784
Charge
0
InChI
InChI=1S/C6H11NO4/c1-7(3-6(9)10)5(8)4-11-2/h3-4H2,1-2H3,(H,9,10)
InChIKey
KIAUQLWVQFRPCR-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)N(CC(=O)O)C
Isomeric Smiles
C(=O)(N(CC(=O)O)C)COC
Calculated Properties
JChem
Acid pKa
3.8263576
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.955817
LogD (pH = 7.4)
-4.529154
Log P
-1.2790744
Molar Refractivity
36.7973
Polarizability
14.371446
Polar Surface Area
66.84
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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