Molecule
ID:71817
General Information
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c1-6(7,5(8)9)4-2-3-4/h4H,2-3,7H2,1H3,(H,8,9)
InChIKey
VRFYYCFVOBCXDL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C1CC1)(N)C
Isomeric Smiles
C1C(C1)C(N)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.4768152
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9848031
LogD (pH = 7.4)
-1.9859854
Log P
-1.9846114
Molar Refractivity
32.404
Polarizability
13.120767
Polar Surface Area
63.32
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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