2-Aminobutyric acid

Details

• Internal ID: 5de20660-466c-412a-8962-f6025a642bc4
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: 2-aminobutanoic acid
• SMILES (Canonical): CCC(C(=O)O)N
• SMILES (Isomeric): CCC(C(=O)O)N
• InChI: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
• InChI Key: QWCKQJZIFLGMSD-UHFFFAOYSA-N
• Popularity: 4,717 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

• 2835-81-6
• 2-Aminobutyric acid
• 2-Aminobutanoic acid
• H-DL-ABU-OH
• Butanoic acid, 2-amino-
• Butyrine
• Butanoic acid, amino-
• 80-60-4
• DL-2-Amino-n-butyric acid
• ALPHA-AMINOBUTYRIC ACID
• AABA
• 2-amino-butyric acid
• DL-alpha-Amino-n-butyric acid
• Butyric acid, 2-amino-, DL-
• alpha-Amino-n-butyric acid
• L-.alpha.-Aminobutyrate
• DL-2-Aminobutanoic acid
• Butyric acid, 2-amino-
• l(+)-2-aminobutyric acid
• MFCD00008093
• L-2-Aminobutyric Acid-d6
• L-.alpha.-Aminobutyric acid
• DL-.alpha.-Aminobutyric acid
• 2-AMINO-N-BUTYRIC ACID
• DL-2-Aminobutyric-D6 acid
• CHEBI:35621
• L-.alpha.-Amino-n-butyric acid
• DL-.alpha.-Amino-n-butyric acid
• NSC3251
• 8306QPJ19P
• NSC-3251
• 1276197-51-3
• DL-.alpha.-Amino-n-butyric acid (.beta.-form)
• Homoalanine
• 28805-76-7
• Butyric acid, 2-amino-, L-
• DL-A-Amino-n-Butyric Acid
• l-2-aminobutanoic acid
• UNII-8306QPJ19P
• MFCD00064414
• MFCD00064415
• NSC-97060
• NSC 3251
• EINECS 201-296-6
• EINECS 220-616-5
• AMINOBUTYRIC ACID,-2-, ALPHA
• Butanoic acid, 2-amino-, (.+-.)-
• 2-aminobutyric acid, dl
• AI3-15284
• DL-alpha-Amino-n-butyric acid (beta-form)
• dl-alpha-aminobutyric acid
• bmse000390
• SCHEMBL23958
• CHEMBL55242
• AMINOBUTYRIC ACID, ALPHA
• DL-2- AMINOBUTYRIC ACID
• .ALPHA.-AMINOBUTYRIC ACID
• 2-Aminobutanoic acid, (L)- #
• DTXSID90862679
• 2-AMINOBUTYRIC ACID, DL-
• BCP04716
• NSC97060
• AKOS000201117
• AKOS016050533
• AB00928
• CS-W011306
• HY-W010590
• SB33762
• .ALPHA.-AMINOBUTYRIC ACID [MI]
• .ALPHA.-AMINOBUTYRIC ACID, DL-
• AS-11292
• SY001956
• SY002291
• SY005223
• A0280
• AM20090360
• FT-0601401
• FT-0602481
• FT-0611236
• FT-0625389
• FT-0661631
• FT-0661632
• EN300-21289
• A-5210
• A22744
• DL-2-Aminobutyric acid, ReagentPlus(R), 99%
• M01290
• Q285687
• DL-2-Aminobutyric acid, puriss., >=99.0% (NT)
• DL-2-Aminobutyric acid, Vetec(TM) reagent grade, 98%
• F8889-0487
• Z104495144
• 4D86307C-8B58-428C-BB29-5FE70D44669A

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

• Allium sativum
• Cycas revoluta
• Euphorbia prostrata
• Opuntia ficus-indica
• Prunus domestica
• Psophocarpus tetragonolobus
• Thymus transcaucasicus

Cross-Links

• PubChem: 6657
• LOTUS: LTS0208699
• wikiData: Q285687