Molecule

ID:38954

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₅
Molecular Mass
296.319
Exact Mass
296.13722175
Charge
0
InChI
InChI=1S/C14H20N2O5/c1-14(2,3)21-13(20)16-10(12(18)19)7-8-4-5-11(17)9(15)6-8/h4-6,10,17H,7,15H2,1-3H3,(H,16,20)(H,18,19)/t10-/m0/s1
InChIKey
QNDSZPLLLMNLBY-JTQLQIEISA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(c(c1)N)O
Isomeric Smiles
c1(c(cc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N)O
Calculated Properties
JChem
Acid pKa
3.2241302
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-0.19067712
LogD (pH = 7.4)
-1.7543734
Log P
0.4751676
Molar Refractivity
76.6706
Polarizability
29.304628
Polar Surface Area
121.88
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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