L-2-Aminobutyric acid

Details

• Internal ID: ff60e4c9-847b-4e56-9797-6fde4b08504e
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids
• IUPAC Name: (2S)-2-aminobutanoic acid
• SMILES (Canonical): CCC(C(=O)O)N
• SMILES (Isomeric): CC[C@@H](C(=O)O)N
• InChI: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
• InChI Key: QWCKQJZIFLGMSD-VKHMYHEASA-N
• Popularity: 445 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: -2.50

Synonyms

• L-2-Aminobutyric acid
• (S)-2-Aminobutanoic acid
• (2S)-2-aminobutanoic acid
• h-abu-oh
• L-Butyrine
• Butanoic acid, 2-amino-, (2S)-
• L-alpha-Aminobutyric acid
• (S)-(+)-2-Aminobutyric Acid
• L-(+)-2-aminobutyric acid
• (S)-2-Amino-butyric acid
• l-aminobutyric acid
• (-)-2-Aminobutyric acid
• (S)-2-Aminobutyric acid
• L-alpha-Aminobutyrate
• L-alpha-Amino-n-butyric acid
• 2S-amino-butanoic acid
• L-Ethylglycine
• S-Butyrine
• 2-Aminobutyric acid, L-
• ALPHA-AMINOBUTYRIC ACID
• l(+)-2-aminobutyric acid
• L-2-Aminobuttersaeure
• Butanoic acid, 2-amino-, (S)-
• 0QAJ5KN9IM
• l-2-amino-n-butyric acid
• (S)-2-Aminobutanoate
• CHEMBL1230782
• CHEBI:35619
• Butyric acid, 2-amino-, L-
• l-2-aminobutanoic acid
• L-2-aminobutyrate
• Homoalanine
• (2S)-2-aminobutanoate
• MFCD00064415
• h-2-abu-oh
• UNII-0QAJ5KN9IM
• (2S)-2-Aminobutyric acid
• L-homoalanine
• NSC-97060
• 2S-amino-butanoate
• EINECS 216-083-3
• NSC 97060
• L-a-aminobutyric acid
• h-abu(2)-oh
• (+)-2-Aminobutanoate
• 2(s)-aminobutyric acid
• (S)-amino butyric acid
• (S)-2-amino-Butanoate
• L-a-amino-n-Butyric acid
• (+)-2-Aminobutyric acid
• (+)-2-Aminobutanoic acid
• (S)-2-amino-Butanoic acid
• alpha-Aminobutyric acid, L-
• SCHEMBL78599
• (+)-alpha-Aminobutyric acid
• (2S)-2-amino butanoic acid
• DTXSID10883684
• (S)-(+)-alpha-Aminobutyric acid
• Butanoic acid, 2-amino-, (R)-
• STR03331
• BDBM50357210
• LMFA01100034
• s6203
• AKOS015923108
• .ALPHA.-AMINOBUTYRIC ACID, L-
• AC-1817
• CS-W011305
• HY-W010589
• BP-12164
• (S)-(+)-2-Aminobutyric acid L-Abu-OH
• A0826
• AM20080375
• L-2-Aminobutyric acid, >=99% (titration)
• EN300-86145
• A-5220
• C02356
• J-300325
• Q27104317
• Z1741965569
• L-2-Aminobutyric acid, BioReagent, suitable for cell culture
• 02A4013E-092F-4F03-9966-02E7F6164833

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	96.46%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	90.86%	83.82%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.49%	96.95%
CHEMBL2581	P07339	Cathepsin D	87.12%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	86.28%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.57%	99.17%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	81.77%	92.29%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.06%	100.00%

Plants that contains it

• Cycas revoluta

Cross-Links

• PubChem: 80283
• LOTUS: LTS0137324
• wikiData: Q105103646