Molecule

ID:38707

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃O₅
Molecular Mass
275.30154
Exact Mass
275.14812079
Charge
0
InChI
InChI=1S/C11H21N3O5/c1-11(2,3)19-10(18)14-7(8(15)16)5-4-6-13-9(12)17/h7H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H3,12,13,17)
InChIKey
CMJCWQISQGNHHI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC(=O)OC(C)(C)C)CCCNC(=O)N
Isomeric Smiles
C(=O)(NCCCC(C(=O)O)NC(=O)OC(C)(C)C)N
Calculated Properties
JChem
Acid pKa
3.9428473
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-1.7422076
LogD (pH = 7.4)
-3.368711
Log P
-0.17778221
Molar Refractivity
66.202
Polarizability
25.936121
Polar Surface Area
130.75
Rotatable Bonds
8
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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