Molecule

ID:75183

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₄
Molecular Mass
204.22364
Exact Mass
204.111007
Charge
0
InChI
InChI=1S/C8H16N2O4/c1-9(2)7(13)5(11)6(12)8(14)10(3)4/h5-6,11-12H,1-4H3/t5-,6+
InChIKey
PCYDYHRBODKVEL-OLQVQODUSA-N
Canonic Smiles
O[C@H]([C@@H](C(=O)N(C)C)O)C(=O)N(C)C
Isomeric Smiles
N(C(=O)[C@@H](O)[C@@H](O)C(=O)N(C)C)(C)C
Calculated Properties
JChem
Acid pKa
11.674234
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.5479813
LogD (pH = 7.4)
-2.548004
Log P
-2.5479808
Molar Refractivity
49.4446
Polarizability
19.263136
Polar Surface Area
81.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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