Molecule

ID:136555

General Information
Structure
Molecular Formula
C₂₀H₂₈N₂O₅
Molecular Mass
376.44672
Exact Mass
376.19982201
Charge
0
InChI
InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
InChIKey
GBXSMTUPTTWBMN-XIRDDKMYSA-N
Canonic Smiles
CCOC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1
Isomeric Smiles
c1ccc(cc1)CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
Calculated Properties
JChem
Acid pKa
3.6713305
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.29928052
LogD (pH = 7.4)
-1.0552722
Log P
0.5877766
Molar Refractivity
99.5746
Polarizability
39.44501
Polar Surface Area
95.94
Rotatable Bonds
10
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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