Molecule

ID:102141

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O₃
Molecular Mass
160.17108
Exact Mass
160.08479225
Charge
0
InChI
InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKey
DEFJQIDDEAULHB-IMJSIDKUSA-N
Canonic Smiles
C[C@@H](C(=O)O)NC(=O)[C@@H](N)C
Isomeric Smiles
C[C@H](N)C(=O)N[C@@H](C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7263415
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.3826344
LogD (pH = 7.4)
-3.4162068
Log P
-3.3796766
Molar Refractivity
37.7947
Polarizability
15.131784
Polar Surface Area
92.42
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
References
Bioactivity
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