Molecule

ID:63983

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₅
Molecular Mass
245.27226
Exact Mass
245.12632271
Charge
0
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,14,15)
InChIKey
GCAZZUFIDGXTDA-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C
Isomeric Smiles
C(OC(=O)N1CCC(O)CC1C(=O)O)(C)(C)C
Calculated Properties
JChem
Acid pKa
3.8970623
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5102131
LogD (pH = 7.4)
-3.1167927
Log P
0.09831378
Molar Refractivity
59.2427
Polarizability
23.436245
Polar Surface Area
87.07
Rotatable Bonds
3
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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