Molecule

ID:21254

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₅
Molecular Mass
308.3297
Exact Mass
308.13722175
Charge
0
InChI
InChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-9-11(7-12(17)13(18)19)21-10-5-4-6-16-8-10/h4-6,8,11-12H,7,9H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKey
UMPBUKZSGXBWQY-RYUDHWBXSA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1cccnc1)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1cnccc1
Calculated Properties
JChem
Acid pKa
3.4596324
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.5880123
LogD (pH = 7.4)
-2.0955715
Log P
0.12672502
Molar Refractivity
76.4803
Polarizability
30.304083
Polar Surface Area
88.96
Rotatable Bonds
5
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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