Molecule

ID:130908

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₅
Molecular Mass
295.33094
Exact Mass
295.14197278
Charge
0
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey
TXDGEONUWGOCJG-LBPRGKRZSA-N
Canonic Smiles
O=C(N[C@H](C(=O)O)COC(C)(C)C)OCc1ccccc1
Isomeric Smiles
CC(C)(C)OC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.8683658
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.5978758
LogD (pH = 7.4)
-0.9955717
Log P
2.2340758
Molar Refractivity
76.2778
Polarizability
30.053068
Polar Surface Area
84.86
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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