Molecule

ID:3674

General Information

Structure

MolImage

Molecular Formula

C₄H₈N₂O₃

Molecular Mass

132.11792

Exact Mass

132.05349213

Charge

0

InChI

InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1

InChIKey

LUSWEUMSEVLFEQ-UWTATZPHSA-N

Canonic Smiles

NC(=O)N[C@@H](C(=O)O)C

Isomeric Smiles

C[C@@H](NC(=O)N)C(=O)O

Calculated Properties

JChem

Acid pKa

3.774617

H Acceptors

3

H Donor

3

LogD (pH = 5.5)

-2.8201253

LogD (pH = 7.4)

-4.367266

Log P

-1.0934103

Molar Refractivity

28.6178

Polarizability

11.164827

Polar Surface Area

92.42

Rotatable Bonds

2

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-1.18

LOG S

-0.35

Solubility (Water)

5.90e+01 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity