Molecule
ID:58306
General Information
Molecular Formula
C₅H₁₁NO₂
Molecular Mass
117.14634
Exact Mass
117.0789786
Charge
0
InChI
InChI=1S/C5H11NO2/c1-5(8)6(2)3-4-7/h7H,3-4H2,1-2H3
InChIKey
OBSKGKGKPGOOTB-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C)CCO
Isomeric Smiles
C(=O)(N(CCO)C)C
Calculated Properties
JChem
Acid pKa
15.574865
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2730383
LogD (pH = 7.4)
-1.2730383
Log P
-1.2730383
Molar Refractivity
30.5516
Polarizability
11.806096
Polar Surface Area
40.54
Rotatable Bonds
2
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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