Molecule

ID:69556

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₃
Molecular Mass
143.14056
Exact Mass
143.05824315
Charge
0
InChI
InChI=1S/C6H9NO3/c8-5-3-1-2-4(7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey
FZXCPFJMYOQZCA-BYPYZUCNSA-N
Canonic Smiles
O=C1CCC[C@H](N1)C(=O)O
Isomeric Smiles
N1C(=O)CCC[C@H]1C(=O)O
Calculated Properties
JChem
Acid pKa
3.7701788
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.176104
LogD (pH = 7.4)
-3.7209208
Log P
-0.44510102
Molar Refractivity
32.6888
Polarizability
12.907137
Polar Surface Area
66.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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