Molecule

ID:38475

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₄
Molecular Mass
217.26216
Exact Mass
217.13140809
Charge
0
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
GFMRZAMDGJIWRB-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCCCC(=O)O
Isomeric Smiles
C(CC(=O)O)CCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.91186
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.27940133
LogD (pH = 7.4)
-1.892559
Log P
1.3148644
Molar Refractivity
54.9318
Polarizability
21.639687
Polar Surface Area
75.63
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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