Molecule
ID:127581
General Information
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)
InChIKey
MPUUQNGXJSEWTF-UHFFFAOYSA-N
Canonic Smiles
O=CC(CCC(=O)O)N
Isomeric Smiles
C(CC(=O)O)C(C=O)N
Calculated Properties
JChem
Acid pKa
4.0338664
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.3590205
LogD (pH = 7.4)
-3.4207463
Log P
-3.3530092
Molar Refractivity
30.3623
Polarizability
12.14889
Polar Surface Area
80.39
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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