Molecule

ID:117062

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c7-5(8)3-6-4-1-2-4/h4,6H,1-3H2,(H,7,8)
InChIKey
DXQCCQKRNWMECV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNC1CC1
Isomeric Smiles
C1(CC1)NCC(=O)O
Calculated Properties
JChem
Acid pKa
1.9792962
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.7206736
LogD (pH = 7.4)
-2.7213461
Log P
-2.7206209
Molar Refractivity
27.9892
Polarizability
11.294152
Polar Surface Area
49.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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