Molecule

ID:38462

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
ROVVUKFHORPDSM-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCC1)C(=O)O)OC(C)(C)C
Isomeric Smiles
C1CCC1(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.930923
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.093002
LogD (pH = 7.4)
-1.7144389
Log P
1.4829022
Molar Refractivity
52.7284
Polarizability
20.932104
Polar Surface Area
75.63
Rotatable Bonds
4
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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