Molecule

ID:59962

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₅
Molecular Mass
288.34006
Exact Mass
288.16852188
Charge
0
InChI
InChI=1S/C13H24N2O5/c1-8(2)6-9(11(18)14-7-10(16)17)15-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)/t9-/m0/s1
InChIKey
NRXDUMDULDHIEA-VIFPVBQESA-N
Canonic Smiles
CC(C[C@@H](C(=O)NCC(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)NCC(=O)O)CC(C)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.5830898
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.84945333
LogD (pH = 7.4)
-2.286653
Log P
1.062213
Molar Refractivity
71.8474
Polarizability
28.412588
Polar Surface Area
104.73
Rotatable Bonds
8
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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