Molecule

ID:52986

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₄
Molecular Mass
294.34618
Exact Mass
294.15795719
Charge
0
InChI
InChI=1S/C15H22N2O4/c1-15(2,3)21-13(18)12(9-16)17-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKey
GUTOOFAUODQZRP-LBPRGKRZSA-N
Canonic Smiles
NC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Isomeric Smiles
C(=O)([C@H](CN)NC(=O)OCc1ccccc1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.411376
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9400842
LogD (pH = 7.4)
0.7235338
Log P
1.6299615
Molar Refractivity
77.9532
Polarizability
31.10712
Polar Surface Area
90.65
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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