Molecule
ID:80250
General Information
Molecular Formula
C₅H₉NO₄
Molecular Mass
147.12926
Exact Mass
147.05315777
Charge
0
InChI
InChI=1S/C5H9NO4/c1-9-4(7)3(6)5(8)10-2/h3H,6H2,1-2H3
InChIKey
MHDFJESNGMDHQD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=O)OC)N
Isomeric Smiles
O=C(C(C(=O)OC)N)OC
Calculated Properties
JChem
Acid pKa
11.46181
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.89728415
LogD (pH = 7.4)
-0.8618789
Log P
-0.86136943
Molar Refractivity
31.5217
Polarizability
13.146262
Polar Surface Area
78.62
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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