L-Propargylglycine

Details

• Internal ID: b67ef3ed-5520-4848-9d36-c52d69b4e1e7
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: (2S)-2-aminopent-4-ynoic acid
• SMILES (Canonical): C#CCC(C(=O)O)N
• SMILES (Isomeric): C#CC[C@@H](C(=O)O)N
• InChI: InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1
• InChI Key: DGYHPLMPMRKMPD-BYPYZUCNSA-N
• Popularity: 285 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₇NO₂
• Molecular Weight: 113.11 g/mol
• Exact Mass: 113.047678466 g/mol
• Topological Polar Surface Area (TPSA): 63.30 Ų
• XlogP: -2.80

Synonyms

• 23235-01-0
• (S)-2-Aminopent-4-ynoic acid
• (2s)-2-aminopent-4-ynoic acid
• L-2-Propynylglycine
• 198774-27-5
• 4-Pentynoic acid, 2-amino-, (2S)-
• (S)-2-Propargylglycine
• (S)-2-Amino-4-pentynoic acid
• (2S)-2-amino-4-Pentynoic acid
• L-C-Propargylglycine
• (S)-Propargylglycine
• 8R9U8RVT6V
• MFCD00077855
• (S)-alpha.Propargylglycine
• (S)-alpha-propargylglycine
• UNII-8R9U8RVT6V
• L-Proparglycine
• 4-Pentynoic acid, 2-amino-, (S)-
• L-Pra-OH
• H-Gly(Propargyl)-OH
• PROPARGYLGLYCINE, L-
• L-2-Amino-4-pentynoic acid
• CHEMBL50483
• SCHEMBL254259
• (S)-2-Aminopent-4-ynoicacid
• (2S)-2-azaniumylpent-4-ynoate
• CHEBI:43797
• DTXSID60941728
• (S)-2-Amino-pent-4-ynoic acid
• DGYHPLMPMRKMPD-BYPYZUCNSA-N
• BDBM367672
• L-Propargylglycine (H-L-Pra-OH)
• YHA77427
• 4-Pentynoic acid,2-amino-,(2S)-
• NSC823853
• AKOS005259648
• AKOS006237180
• AC-9947
• CS-W006064
• HY-W006064
• NSC-823853
• AS-14794
• L-C-Propargylglycine, >=99.0% (TLC)
• EN300-66130
• (S)-2-Aminopent-4-ynoic acid hydrochloride ee
• C22138
• A816637
• J-015041
• Q27270926
• US10227314, Compound (S)-2-aminopent-4-ynoic acid

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
CHEMBL221	P23219	Cyclooxygenase-1	94.66%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.69%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	92.59%	83.82%
CHEMBL230	P35354	Cyclooxygenase-2	88.01%	89.63%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.70%	91.11%
CHEMBL233	P35372	Mu opioid receptor	85.75%	97.93%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.68%	96.95%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	81.26%	92.29%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.53%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 168091
• LOTUS: LTS0058511
• wikiData: Q27270926