Molecule
ID:33320
General Information
Molecular Formula
C₅H₁₁NO₂
Molecular Mass
117.14634
Exact Mass
117.0789786
Charge
0
InChI
InChI=1S/C5H11NO2/c1-3-6(2)4-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
FOAINFSTWSHMPH-UHFFFAOYSA-N
Canonic Smiles
CN(CC)CC(=O)O
Isomeric Smiles
C(=O)(CN(CC)C)O
Calculated Properties
JChem
Acid pKa
1.9843897
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7046533
LogD (pH = 7.4)
-2.7055364
Log P
-2.7046053
Molar Refractivity
30.8213
Polarizability
12.004493
Polar Surface Area
40.54
Rotatable Bonds
3
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
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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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