DL-3-Aminoisobutyric acid Chemical Properties

Melting point:

246.72°C (estimate)

Boiling point:

223.6±23.0 °C(Predicted)

Density 

1.2300 (estimate)

refractive index 

1.4650 (estimate)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

Methanol (Slightly), Water (Slightly)

form 

powder to crystal

pka

3.69±0.16(Predicted)

color 

White

BRN 

1720958

InChI

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey

QCHPKSFMDHPSNR-UHFFFAOYSA-N

SMILES

C(O)(=O)C(C)CN

Safety Information

WGK Germany 

3

RTECS 

UA2430000

HS Code 

2922.49.4950

DL-3-Aminoisobutyric acid Usage And Synthesis

Uses

DL-3-Aminoisobutyric Acid Hydrate is a beta-amino acid used for proteomics research.

Definition

ChEBI: 3-aminoisobutyric acid is a beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group. It has a role as a metabolite. It is functionally related to an isobutyric acid. It is a conjugate acid of a 3-aminoisobutyrate. It is a tautomer of a 3-aminoisobutanoic acid zwitterion.

General Description

DL-3-Aminoisobutyric acid (for short, 3AIBA), synonymous with α-Methyl-β-alanine, is a β-amino acid occurring naturally in all living organisms. 3AIBA can be formed in humans and animals from the nucleotide thymine and amino acid valine. Since 3AIBA is structurally similar to β-alanine; it can also be called α-methyl-β-alanine having one additional methyl group on α-carbon atom. In their free form, β-alanine and 3AIBA are metabolites in mammals and moieties in several pharmacologically active compounds such as antibiotics, antitumor, and antifungal agents[1].

reaction suitability

reaction type: solution phase peptide synthesis

References

[1] Shashikala Yalagi, Jayashree Tonannavar, Jagdish Tonannavar. “DL-3-Aminoisobutyric acid: vibrational, NBO and AIM analysis of N-H?O bonded-zwitterionic dimer model.” Heliyon 5 6 (2019): e01933.

DL-3-Aminoisobutyric acid(144-90-1)Related Product Information

• D-Alanine
• EC 2.3.2.2
• 4-Aminobutyric acid