Molecule

ID:131517

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O₃
Molecular Mass
160.17108
Exact Mass
160.08479225
Charge
0
InChI
InChI=1S/C6H12N2O3/c1-4(6(10)11)8-5(9)2-3-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
InChIKey
OSOCQWFTTAPWEK-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)NC(=O)CCN
Isomeric Smiles
CC(C(=O)O)NC(=O)CCN
Calculated Properties
JChem
Acid pKa
3.727266
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.715373
LogD (pH = 7.4)
-3.7170002
Log P
-3.7114754
Molar Refractivity
38.0002
Polarizability
15.131784
Polar Surface Area
92.42
Rotatable Bonds
4
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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