Molecule

ID:102134

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O₃
Molecular Mass
160.17108
Exact Mass
160.08479225
Charge
0
InChI
InChI=1S/C6H12N2O3/c1-4(7)6(11)8-3-2-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKey
LHMWTJPMNYKPGC-BYPYZUCNSA-N
Canonic Smiles
C[C@@H](C(=O)NCCC(=O)O)N
Isomeric Smiles
C[C@H](N)C(=O)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.1803956
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.7220497
LogD (pH = 7.4)
-3.7449627
Log P
-3.7117755
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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