Butanoic acid, 2-amino-4-(methylsulfonyl)-

Details

• Internal ID: f30e66cd-50e4-48f1-a33b-908f036239ce
• 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-amino-4-methylsulfonylbutanoic acid
• InChI: InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
• InChI Key: UCUNFLYVYCGDHP-UHFFFAOYSA-N
• Popularity: 67 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₁NO₄S
• Molecular Weight: 181.21 g/mol
• Exact Mass: 181.04087901 g/mol
• Topological Polar Surface Area (TPSA): 106.00 Ų
• XlogP: -3.10

Synonyms

• 820-10-0
• 2-Amino-4-(methylsulfonyl)butanoic acid
• 1118-85-0
• Butanoic acid, 2-amino-4-(methylsulfonyl)-
• D,L-Methionine sulfone
• 2-amino-4-methylsulfonylbutanoic acid
• DL-2-Amino-4-(methylsulfonyl)butanoic acid
• Butyric acid, 2-amino-4-(methylsulfonyl)-, DL-
• 2-AMINO-4-METHANESULFONYLBUTANOIC ACID
• H-D-Met(O)-OH
• NSC-62968
• 5503K54L0R
• DL-Methionine S-dioxide
• 2-Amino-4-(methylsulfonyl)butyric Acid
• MFCD00066020
• UNII-5503K54L0R
• EINECS 212-466-4
• MFCD00025079
• NSC 62968
• methionine s,s-dioxide
• AI3-52410
• Methionine, S,S-dioxide
• NCIOpen2_000242
• SCHEMBL204462
• METHIONINE SULFONE, DL-
• DTXSID50875588
• CHEBI:132188
• NSC62968
• AKOS005422653
• 2-Amino-4-(methylsulfonyl)butanoicacid
• 2-Amino-4-methanesulfonyl-butyric acid
• 2-amino-4-methylsulfonyl-butanoic acid
• AB01460
• HY-W141863
• 2-azanyl-4-methylsulfonyl-butanoic acid
• 2-amino-4-(methanesulfonyl)butanoic acid
• LS-08310
• SY027489
• dl-2-Amino-4-(methylsulfonyl)butyric acid
• DL-Methionine sulfone, >=99.0% (NT)
• 2-Amino-4-(methylsulfonyl)butanoic acid #
• CS-0201659
• FT-0627957
• FT-0632977
• FT-0639719
• M0100
• EN300-29681
• D91280
• A837729
• A840231
• Q27261252
• Butanoic acid, 2-amino-4-(methylsulfonyl)-, (.+/-.)-

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
CHEMBL4040	P28482	MAP kinase ERK2	98.75%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.89%	96.09%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	90.98%	92.29%
CHEMBL2581	P07339	Cathepsin D	85.08%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.50%	95.56%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.73%	96.95%
CHEMBL226	P30542	Adenosine A1 receptor	83.46%	95.93%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	83.02%	94.33%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.49%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 69961
• LOTUS: LTS0213223
• wikiData: Q27261252