Molecule

ID:70703

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₄
Molecular Mass
218.25022
Exact Mass
218.12665707
Charge
0
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m0/s1
InChIKey
HNGRJOCEIWGCTB-LURJTMIESA-N
Canonic Smiles
NC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)([C@H](CN)NC(=O)OC(C)(C)C)OC
Calculated Properties
JChem
Acid pKa
13.371993
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6645684
LogD (pH = 7.4)
-1.0009545
Log P
-0.094511636
Molar Refractivity
53.3406
Polarizability
21.583197
Polar Surface Area
90.65
Rotatable Bonds
6
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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