SQ 26517

Details

• Internal ID: f2519e51-8472-43ce-bac5-920da570ffab
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives
• IUPAC Name: N-[(2R,3S)-2-methyl-4-oxooxetan-3-yl]acetamide
• InChI: InChI=1S/C6H9NO3/c1-3-5(6(9)10-3)7-4(2)8/h3,5H,1-2H3,(H,7,8)/t3-,5+/m1/s1
• InChI Key: ZCSKPKMAWTYOSK-WUJLRWPWSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₉NO₃
• Molecular Weight: 143.14 g/mol
• Exact Mass: 143.058243149 g/mol
• Topological Polar Surface Area (TPSA): 55.40 Ų
• XlogP: -0.30

Synonyms

• SQ-26517
• 83112-05-4
• RefChem:185094
• n-[(2r,3s)-2-methyl-4-oxooxetan-3-yl]acetamide
• (2R-cis)-N-(2-Methyl-4-oxo-3-oxetanyl)actamide
• N-(2-Methyl-4-oxo-3-oxetanyl)actamide (2R-cis)-
• SCHEMBL22618553
• DTXSID901003115
• AKOS006355515
• N-(2-Methyl-4-oxooxetan-3-yl)ethanimidic acid
• Actamide, N-(2-methyl-4-oxo-3-oxetanyl)-, (2R-cis)-
• Acetamide, N-(2-methyl-4-oxo-3-oxetanyl)-, (2R-cis)-
• N-[(2R,3S)-2-Methyl-4-oxooxetan-3-yl]ethanimidic 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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.30%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.87%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.54%	99.23%
CHEMBL2581	P07339	Cathepsin D	81.39%	98.95%
CHEMBL340	P08684	Cytochrome P450 3A4	80.61%	91.19%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 134157
• LOTUS: LTS0212562
• wikiData: Q105152762