Molecule

ID:45795

General Information

Structure

Molecular Formula

C₈H₁₅NO₂

Molecular Mass

157.2102

Exact Mass

157.11027873

Charge

0

InChI

InChI=1S/C8H15NO2/c1-6(2)3-8(10)11-7-4-9-5-7/h6-7,9H,3-5H2,1-2H3

InChIKey

MWJVXASZPFAXNH-UHFFFAOYSA-N

Canonic Smiles

CC(CC(=O)OC1CNC1)C

Isomeric Smiles

C(=O)(OC1CNC1)CC(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.8343704

LogD (pH = 7.4)

-0.12825258

Log P

0.87851065

Molar Refractivity

41.6149

Polarizability

17.03371

Polar Surface Area

38.33

Rotatable Bonds

4

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