Molecule

ID:59943

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₄O₄
Molecular Mass
274.31678
Exact Mass
274.1641052
Charge
0
InChI
InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1
InChIKey
HSQIYOPBCOPMSS-ZETCQYMHSA-N
Canonic Smiles
OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCNC(=N)N
Isomeric Smiles
C(=O)(N[C@H](C(=O)O)CCCNC(=N)N)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.7277417
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-1.6478137
LogD (pH = 7.4)
-1.6418666
Log P
-1.6418374
Molar Refractivity
78.7961
Polarizability
26.542439
Polar Surface Area
137.53
Rotatable Bonds
8
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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