Molecule

ID:80110

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₄
Molecular Mass
147.12926
Exact Mass
147.05315777
Charge
0
InChI
InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)
InChIKey
JJIHLJJYMXLCOY-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)O)NC(=O)C
Isomeric Smiles
N(C(C(=O)O)CO)C(=O)C
Calculated Properties
JChem
Acid pKa
3.611001
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.6915202
LogD (pH = 7.4)
-5.145944
Log P
-1.8067747
Molar Refractivity
31.4848
Polarizability
12.505613
Polar Surface Area
86.63
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
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Molecule Details
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References
Bioactivity
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