Molecule
ID:58817
General Information
Molecular Formula
C₅H₁₁NO₂
Molecular Mass
117.14634
Exact Mass
117.0789786
Charge
0
InChI
InChI=1S/C5H11NO2/c1-6(2)5(8)3-4-7/h7H,3-4H2,1-2H3
InChIKey
ZEVPZBDCQLTDHD-UHFFFAOYSA-N
Canonic Smiles
OCCC(=O)N(C)C
Isomeric Smiles
C(=O)(N(C)C)CCO
Calculated Properties
JChem
Acid pKa
15.771149
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1631715
LogD (pH = 7.4)
-1.1631715
Log P
-1.1631715
Molar Refractivity
30.6609
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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