Molecule

ID:38926

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₄
Molecular Mass
279.33154
Exact Mass
279.14705816
Charge
0
InChI
InChI=1S/C15H21NO4/c1-10(11-8-6-5-7-9-11)12(13(17)18)16-14(19)20-15(2,3)4/h5-10,12H,1-4H3,(H,16,19)(H,17,18)/t10-,12-/m0/s1
InChIKey
XFSLNPBJZAPTMM-JQWIXIFHSA-N
Canonic Smiles
C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)c1ccccc1
Isomeric Smiles
c1(ccccc1)[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C
Calculated Properties
JChem
Acid pKa
4.1038365
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5246032
LogD (pH = 7.4)
-0.16183834
Log P
2.9346852
Molar Refractivity
74.4609
Polarizability
29.333042
Polar Surface Area
75.63
Rotatable Bonds
6
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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