Molecule

ID:38585

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₄
Molecular Mass
204.22364
Exact Mass
204.111007
Charge
0
InChI
InChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1
InChIKey
KRJLRVZLNABMAT-YFKPBYRVSA-N
Canonic Smiles
NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
[C@H](CN)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.3544285
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.505428
LogD (pH = 7.4)
-2.5082457
Log P
-2.5038223
Molar Refractivity
48.5715
Polarizability
19.523464
Polar Surface Area
101.65
Rotatable Bonds
5
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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