Molecule

ID:67883

General Information

Structure

Molecular Formula

C₅H₁₀N₂O₂

Molecular Mass

130.1451

Exact Mass

130.07422757

Charge

0

InChI

InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m1/s1

InChIKey

JSSXHAMIXJGYCS-SCSAIBSYSA-N

Canonic Smiles

OC(=O)[C@H]1CNCCN1

Isomeric Smiles

N1[C@H](CNCC1)C(=O)O

Calculated Properties

JChem

Acid pKa

1.314084

H Acceptors

4

H Donor

3

LogD (pH = 5.5)

-3.6862261

LogD (pH = 7.4)

-3.5154152

Log P

-3.5175667

Molar Refractivity

31.2787

Polarizability

12.82288

Polar Surface Area

61.36

Rotatable Bonds

1

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