Molecule

ID:37696

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c1-3-4(2)7-5(8)6(9)10/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
VARKFMHUVKZOHE-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)C(=O)O)CC
Isomeric Smiles
C(=O)(C(=O)O)NC(CC)C
Calculated Properties
JChem
Acid pKa
3.275738
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7717611
LogD (pH = 7.4)
-2.9853451
Log P
0.44888726
Molar Refractivity
34.8489
Polarizability
13.605074
Polar Surface Area
66.4
Rotatable Bonds
3
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
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References
Bioactivity
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