Molecule

ID:53449

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c1-6-4(7)2-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKey
RGWXLLFCRBVSBL-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCC(=O)O
Isomeric Smiles
C(=O)(NC)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.353546
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1563513
LogD (pH = 7.4)
-3.9051208
Log P
-0.98174953
Molar Refractivity
30.2559
Polarizability
11.793255
Polar Surface Area
66.4
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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