Molecule
ID:119419
General Information
Molecular Formula
C₂₀H₂₈N₂O₅
Molecular Mass
376.44672
Exact Mass
376.19982201
Charge
0
InChI
InChI=1S/C20H28N2O5/c1-20(2,3)27-19(26)22-11-9-15(10-12-22)17(23)21-16(18(24)25)13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,21,23)(H,24,25)/t16-/m1/s1
InChIKey
FKCVTDVCCAOPGT-MRXNPFEDSA-N
Canonic Smiles
O=C(C1CCN(CC1)C(=O)OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccccc1
Isomeric Smiles
C(=O)(N1CCC(C(=O)N[C@@H](C(=O)O)Cc2ccccc2)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.8044865
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.5853558
LogD (pH = 7.4)
-0.9770905
Log P
2.2832327
Molar Refractivity
99.9868
Polarizability
39.044437
Polar Surface Area
95.94
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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