Molecule

ID:38713

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂O₄
Molecular Mass
274.35654
Exact Mass
274.18925732
Charge
0
InChI
InChI=1S/C13H26N2O4/c1-13(2,3)19-12(18)14-10(11(16)17)8-6-7-9-15(4)5/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKey
KPXRFYHPDPDJSY-JTQLQIEISA-N
Canonic Smiles
CN(CCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
[C@H](CCCCN(C)C)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9890523
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1443226
LogD (pH = 7.4)
-1.1350019
Log P
-1.1343211
Molar Refractivity
72.7518
Polarizability
28.655838
Polar Surface Area
78.87
Rotatable Bonds
9
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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