Molecule

ID:23586

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-10(2)9-14(19)17-12-5-3-11(4-6-12)16-13(18)7-8-15(20)21/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKey
OTDGIEYLEGUITK-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)Nc1ccc(cc1)NC(=O)CCC(=O)O)C
Isomeric Smiles
C(=O)(Nc1ccc(NC(=O)CCC(=O)O)cc1)CC(C)C
Calculated Properties
JChem
Acid pKa
3.9598477
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.15758531
LogD (pH = 7.4)
-1.4759928
Log P
1.705653
Molar Refractivity
80.4538
Polarizability
29.848581
Polar Surface Area
95.5
Rotatable Bonds
7
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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