Molecule

ID:59111

General Information

Structure

MolImage

Molecular Formula

C₈H₁₃NO₃

Molecular Mass

171.19372

Exact Mass

171.08954328

Charge

0

InChI

InChI=1S/C8H13NO3/c1-2-12-8(11)7(10)9-5-3-4-6-9/h2-6H2,1H3

InChIKey

BVDJTOBVOOGSIJ-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C(=O)N1CCCC1

Isomeric Smiles

C(=O)(N1CCCC1)C(=O)OCC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.51849073

LogD (pH = 7.4)

0.51849073

Log P

0.51849073

Molar Refractivity

43.1129

Polarizability

16.777683

Polar Surface Area

46.61

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

No Data Available

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Molecule Details

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References

Bioactivity