Molecule

ID:38736

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₅
Molecular Mass
274.31348
Exact Mass
274.15287181
Charge
0
InChI
InChI=1S/C12H22N2O5/c1-5-13-9(15)7-6-8(10(16)17)14-11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,15)(H,14,18)(H,16,17)/t8-/m0/s1
InChIKey
DHDKHNYMNZCKOS-QMMMGPOBSA-N
Canonic Smiles
CCNC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
[C@H](CCC(=O)NCC)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9940305
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.1814461
LogD (pH = 7.4)
-2.8287125
Log P
0.33377677
Molar Refractivity
67.6282
Polarizability
26.589891
Polar Surface Area
104.73
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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