7-Oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid

Details

• Internal ID: fd59b75b-a500-4a95-96db-8f98cb92490e
• Taxonomy: Organoheterocyclic compounds > Lactams > Beta lactams > Carbapenems
• IUPAC Name: 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• InChI: InChI=1S/C7H7NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h2,4H,1,3H2,(H,10,11)
• InChI Key: BSIMZHVOQZIAOY-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₇NO₃
• Molecular Weight: 153.14 g/mol
• Exact Mass: 153.042593085 g/mol
• Topological Polar Surface Area (TPSA): 57.60 Ų
• XlogP: -0.30

Synonyms

• 83200-96-8
• 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 7-Oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
• Carbapenems
• SCHEMBL7533527
• DTXSID701002878
• 7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-carboxylic acid
• 7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic 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
CHEMBL2581	P07339	Cathepsin D	90.63%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.10%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.73%	95.56%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	84.68%	93.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.81%	99.23%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.71%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.02%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 134085
• LOTUS: LTS0073662
• wikiData: Q104945259