Molecule

ID:33537

General Information

Structure

MolImage

Molecular Formula

C₆H₁₃NO₂

Molecular Mass

131.17292

Exact Mass

131.09462866

Charge

0

InChI

InChI=1S/C6H13NO2/c1-4-5(6(8)9)7(2)3/h5H,4H2,1-3H3,(H,8,9)

InChIKey

UNIKQYIJSJGRRS-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

2.04912

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-1.9707175

LogD (pH = 7.4)

-1.9711655

Log P

-1.970646

Molar Refractivity

35.0906

Polarizability

13.835553

Polar Surface Area

40.54

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity