Molecule

ID:11463

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₄
Molecular Mass
162.1439
Exact Mass
162.06405681
Charge
0
InChI
InChI=1S/C5H10N2O4/c1-2(8)3(4(9)10)7-5(6)11/h2-3,8H,1H3,(H,9,10)(H3,6,7,11)
InChIKey
JDNXAWFLEXAACH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)NC(C(=O)O)C(O)C
Isomeric Smiles
C(NC(=O)N)(C(=O)O)C(O)C
Calculated Properties
JChem
Acid pKa
3.6528058
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-3.5681367
LogD (pH = 7.4)
-5.0476203
Log P
-1.7237452
Molar Refractivity
34.5803
Polarizability
13.680117
Polar Surface Area
112.65
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
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Molecule Details
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References
Bioactivity
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