Molecule

ID:2534

General Information

Structure

MolImage

Molecular Formula

C₄H₁₀N₂O₃

Molecular Mass

134.1338

Exact Mass

134.06914219

Charge

0

InChI

InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1

InChIKey

FQPGMQABJNQLLF-GSVOUGTGSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

2.2355778

H Acceptors

5

H Donor

3

LogD (pH = 5.5)

-3.7048156

LogD (pH = 7.4)

-3.6757748

Log P

-3.6742692

Molar Refractivity

30.9761

Polarizability

12.460032

Polar Surface Area

98.57

Rotatable Bonds

4

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-3.21

LOG S

0.36

Solubility (Water)

3.08e+02 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