Molecule

ID:132220

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₅
Molecular Mass
190.154
Exact Mass
190.05897143
Charge
0
InChI
InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)
InChIKey
JHFNSBBHKSZXKB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNC(=O)C(CC(=O)O)N
Isomeric Smiles
C(C(C(=O)NCC(=O)O)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9720778
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-6.380019
LogD (pH = 7.4)
-7.9199004
Log P
-4.853068
Molar Refractivity
39.3362
Polarizability
15.854732
Polar Surface Area
129.72
Rotatable Bonds
5
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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