Molecule

ID:60211

General Information

Structure

MolImage

Molecular Formula

C₆H₁₃NO₂

Molecular Mass

131.17292

Exact Mass

131.09462866

Charge

0

InChI

InChI=1S/C6H13NO2/c1-6(2,7)4-3-5(8)9/h3-4,7H2,1-2H3,(H,8,9)

InChIKey

FZNOWMWZNCOYIJ-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CCC(N)(C)C

Isomeric Smiles

C(=O)(CCC(N)(C)C)O

Calculated Properties

JChem

Acid pKa

4.699869

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-2.2395077

LogD (pH = 7.4)

-2.1880817

Log P

-2.1881914

Molar Refractivity

34.5148

Polarizability

13.835553

Polar Surface Area

63.32

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

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Molecule Details

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References

Bioactivity