L-beta-Aminoisobutyric acid

Details

• Internal ID: d01334cb-9fb2-4c72-b74f-94f76b6dd6f8
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives
• IUPAC Name: (2S)-3-amino-2-methylpropanoic acid
• InChI: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
• InChI Key: QCHPKSFMDHPSNR-VKHMYHEASA-N
• Popularity: 23 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₉NO₂
• Molecular Weight: 103.12 g/mol
• Exact Mass: 103.063328530 g/mol
• Topological Polar Surface Area (TPSA): 63.30 Ų
• XlogP: -2.90

Synonyms

• 4249-19-8
• (2S)-3-amino-2-methylpropanoic acid
• (S)-b-aminoisobutyric acid
• (S)-3-AMINO-2-METHYL-PROPIONIC ACID
• S-beta-aminoisobutyric acid
• L-Baiba
• (S)-beta-aminoisobutyric acid
• (+)-alpha-Methyl-beta-alanine
• (S)-3-Amino-2-methylpropanoate
• S-BAIBA
• Baiba, (S)-
• L-3-Amino-isobutyric acid
• L-beta-Aminoisobutyric acid
• L-3-Amino-isobutanoic acid
• (S)-3-aminoisobutyric acid
• (S)-b-amino-isobutyric acid
• L-3-Amino-isobutyrate
• (S)-3-Amino-isobutyric acid
• 3-Aminoisobutyric acid, 2S-
• (S)-3-Amino-isobutanoic acid
• H1WR898GX7
• 2S-methyl-3-amino-propanoic acid
• L-3-aminoisobutyrate
• L-3-Amino-isobutanoate
• (S)-beta-aminoisobutyrate
• (S)-3-Amino-isobutyrate
• (S)-3-Amino-isobutanoate
• L-3-Aminoisobutyric acid, >=97.0% (TLC)
• MFCD07372875
• (S)-3-Amino-2-methylpropanoicacid
• BIB
• L-b-aminoisobutyrate
• S-b-aminoisobutyrate
• L-3-Aminoisobutanoate
• L-beta-aminoisobutyrate
• S-beta-aminoisobutyrate
• L-2-methyl-b-Alanine
• L-a-Methyl-ss-alanine
• S-b-aminoisobutyric acid
• L-b-Aminoisobutyric acid
• (S)-3-AMINO-2-METHYLPROPIONIC ACID
• L-3-aminoisobutyric acid
• (S)-3-Aminoisobutanoate
• L-2-methyl-beta-Alanine
• (+)-a-Methyl-b-alanine
• (+)-b-Aminoisobutyric acid
• UNII-H1WR898GX7
• (+)-ss-Aminoisobutyric acid
• SCHEMBL456709
• L-3-Amino-2-methylpropanoate
• (+)-beta-Aminoisobutyric acid
• CHEBI:33094
• DTXSID901313225
• L-3-Amino-2-methylpropanoic acid
• L-3-Amino-2-methylpropionic acid
• (S)-3-amino-2-methyl-Propanoate
• LMFA01100050
• (S)-3-amino-2-methyl-Propanoic acid
• AKOS016842304
• GS-0807
• (S)-.BETA.-AMINOISOBUTYRIC ACID
• HY-113380
• (+)-.ALPHA.-METHYL-.BETA.-ALANINE
• CS-0062338
• C03284
• EN300-132518
• F15101
• A854480
• Q27088673

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.92%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	94.83%	83.82%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	88.47%	96.95%
CHEMBL2581	P07339	Cathepsin D	87.52%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	86.39%	90.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	84.09%	100.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	81.39%	96.47%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.80%	90.24%

Plants that contains it

• Lunaria annua

Cross-Links

• PubChem: 439434
• LOTUS: LTS0136817
• wikiData: Q27088673