Molecule

ID:16394

General Information

Structure

MolImage

Molecular Formula

C₆H₁₃NO₂

Molecular Mass

131.17292

Exact Mass

131.09462866

Charge

0

InChI

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

InChIKey

SGXDXUYKISDCAZ-UHFFFAOYSA-N

Canonic Smiles

CCN(CC(=O)O)CC

Isomeric Smiles

N(CC(=O)O)(CC)CC

Calculated Properties

JChem

Acid pKa

2.062615

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-2.3483605

LogD (pH = 7.4)

-2.3487618

Log P

-2.348285

Molar Refractivity

35.5699

Polarizability

13.835553

Polar Surface Area

40.54

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