(S)-b-aminoisobutyric acid is a non-protein amino acid (AA) developed from the catabolism of thymine and valine.

Physicochemical Properties

Molecular Formula	C4H9NO2
Molecular Weight	103.11976
Exact Mass	103.063
CAS #	4249-19-8
Related CAS #	3-Amino-2-methylpropanoic acid;144-90-1
PubChem CID	439434
Appearance	White to off-white solid powder
Density	1.1±0.1 g/cm3
Boiling Point	223.6±23.0 °C at 760 mmHg
Melting Point	175 - 177 °C
Flash Point	89.0±22.6 °C
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.462
LogP	-0.51
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Complexity	72.1
Defined Atom Stereocenter Count	1
SMILES	C[C@@H](CN)C(=O)O
InChi Key	QCHPKSFMDHPSNR-VKHMYHEASA-N
InChi Code	InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Chemical Name	(2S)-3-amino-2-methylpropanoic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. beta-Aminoisobutyric acid (alpha-methyl-beta-alanine); a new amino-acid obtained from human urine. Nature. 1951 Feb 24;167(4243):307-8.

Additional Infomation

(S)-3-aminoisobutyric acid is a beta-amino acid and a 3-aminoisobutyric acid. It has a role as a human metabolite. It is a conjugate acid of a (S)-3-aminoisobutyrate. It is an enantiomer of a (R)-3-aminoisobutyric acid. It is a tautomer of a (S)-3-aminoisobutyric acid zwitterion. (S)-b-aminoisobutyric acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). (S)-3-amino-2-methylpropanoic acid has been reported in Homo sapiens and Lunaria annua with data available. (S)-β-aminoisobutyric acid (α-methyl-β-alanine) is a new amino acid first isolated from human urine. The isolation process mainly includes: first concentrating a large amount of human urine, then performing preliminary purification via ion-exchange chromatography, followed by repeated recrystallization to obtain the pure product; its molecular formula was determined by elemental analysis, and it was identified as β-aminoisobutyric acid through melting point determination, infrared spectroscopy, and optical activity measurement (confirming its (S)-configuration)[1]

Solubility Data

Solubility (In Vitro)	H2O : ~250 mg/mL (~2424.36 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 100 mg/mL (969.74 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	9.6974 mL	48.4872 mL	96.9744 mL
	5 mM	1.9395 mL	9.6974 mL	19.3949 mL
	10 mM	0.9697 mL	4.8487 mL	9.6974 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.