Molecule

ID:36262

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₅
Molecular Mass
297.34682
Exact Mass
297.15762284
Charge
0
InChI
InChI=1S/C15H23NO5/c1-4-21-14(20)9-6-5-7-16(8-9)12(17)10-11(13(18)19)15(10,2)3/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKey
YHQVBIYAMICIEJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)C(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CC(C(=O)OCC)CCC1)(C)C
Calculated Properties
JChem
Acid pKa
4.1035075
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.67201865
LogD (pH = 7.4)
-2.3583488
Log P
0.73839086
Molar Refractivity
74.6677
Polarizability
29.484324
Polar Surface Area
83.91
Rotatable Bonds
5
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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