Molecule

ID:45645

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₄
Molecular Mass
147.12926
Exact Mass
147.05315777
Charge
0
InChI
InChI=1S/C5H9NO4/c1-10-3-4(7)6-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKey
RSHOGRPEOYNOBS-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)NCC(=O)O
Isomeric Smiles
C(=O)(NCC(=O)O)COC
Calculated Properties
JChem
Acid pKa
3.6936955
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.307648
LogD (pH = 7.4)
-4.8107524
Log P
-1.5027505
Molar Refractivity
31.9006
Polarizability
12.569761
Polar Surface Area
75.63
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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