Phenylacetylglycine

Details

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Internal ID 062c9efd-3417-46a6-b084-deb3d6e689ab
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids
IUPAC Name 2-[(2-phenylacetyl)amino]acetic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChI Key UTYVDVLMYQPLQB-UHFFFAOYSA-N
Popularity 352 references in papers

Physical and Chemical Properties

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Molecular Formula C10H11NO3
Molecular Weight 193.20 g/mol
Exact Mass 193.07389321 g/mol
Topological Polar Surface Area (TPSA) 66.40 Ų
XlogP 0.70

Synonyms

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Phenylacetylglycine
500-98-1
N-Phenylacetylglycine
2-(2-Phenylacetamido)Acetic Acid
Phenacetylglycine
N-Phenacetylglycine
N-(Phenylacetyl)glycine
Phenylac-Gly-OH
Glycine, N-(phenylacetyl)-
2-[(2-phenylacetyl)amino]acetic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Phenylacetylglycine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL221 P23219 Cyclooxygenase-1 98.88% 90.17%
CHEMBL2581 P07339 Cathepsin D 97.54% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 88.20% 83.82%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 85.95% 96.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.75% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.35% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.09% 91.11%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.50% 95.50%
CHEMBL1255126 O15151 Protein Mdm4 83.30% 90.20%
CHEMBL3401 O75469 Pregnane X receptor 81.56% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.11% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 68144
LOTUS LTS0224415
wikiData Q26699299