Molecule

ID:38576

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₄
Molecular Mass
217.26216
Exact Mass
217.13140809
Charge
0
InChI
InChI=1S/C10H19NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey
INWOAUUPYIXDHN-SSDOTTSWSA-N
Canonic Smiles
CCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
CCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.137726
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.50268763
LogD (pH = 7.4)
-1.1943688
Log P
1.8804772
Molar Refractivity
54.4953
Polarizability
21.639687
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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