2-amino-N-2'-(phenylacetyl)propanimide

Details

• Internal ID: c0468e62-32b5-421c-9e82-734abf30356c
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid amides
• IUPAC Name: 2-amino-N-(2-phenylacetyl)propanamide
• InChI: InChI=1S/C11H14N2O2/c1-8(12)11(15)13-10(14)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3,(H,13,14,15)
• InChI Key: KMEZBBGZNTXXSG-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄N₂O₂
• Molecular Weight: 206.24 g/mol
• Exact Mass: 206.105527694 g/mol
• Topological Polar Surface Area (TPSA): 72.20 Ų
• XlogP: 0.40

Synonyms

• 2-amino-N-2'-(phenylacetyl)propanimide

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	98.05%	90.17%
CHEMBL2581	P07339	Cathepsin D	97.87%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.35%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.87%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.25%	95.50%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	87.08%	100.00%
CHEMBL3401	O75469	Pregnane X receptor	85.50%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.21%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.84%	91.11%
CHEMBL2535	P11166	Glucose transporter	80.00%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44254609
• LOTUS: LTS0213537
• wikiData: Q77570271