4-Hydroxyphenylacetylglycine

Details

• Internal ID: cb2e8af2-2c10-4482-a19e-2dc9331ab9ca
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids
• IUPAC Name: 2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
• SMILES (Canonical): C1=CC(=CC=C1CC(=O)NCC(=O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1CC(=O)NCC(=O)O)O
• InChI: InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
• InChI Key: CPPDWYIPKSSNNM-UHFFFAOYSA-N
• Popularity: 16 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₁NO₄
• Molecular Weight: 209.20 g/mol
• Exact Mass: 209.06880783 g/mol
• Topological Polar Surface Area (TPSA): 86.60 Ų
• XlogP: 0.40

Synonyms

• 28116-23-6
• Hydroxyphenylacetylglycine
• p-Hydroxyphenylacetylglycine
• 2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
• 2-[2-(4-hydroxyphenyl)acetamido]acetic acid
• 2-(2-(4-Hydroxyphenyl)acetamido)acetic acid
• Glycine,N-[2-(4-hydroxyphenyl)acetyl]-
• C05596
• SCHEMBL935646
• CHEBI:28595
• DTXSID10331519
• CPPDWYIPKSSNNM-UHFFFAOYSA-N
• N-[(4-hydroxyphenyl)acetyl]glycine
• MFCD11188516
• N-[(p-hydroxyphenyl)acetyl]-Glycine
• N-[(4-hydroxyphenyl)acetyl]-Glycine
• AKOS008118398
• [[(4-Hydroxyphenyl)acetyl]amino]acetate
• HY-113210
• [[(4-Hydroxyphenyl)acetyl]amino]acetic acid
• 2-(2-(4-Hydroxyphenyl)acetamido)aceticacid
• CS-0059322
• EN300-65253
• F73739
• [2-(4-Hydroxy-phenyl)-acetyl amino]-acetic acid
• J-016976
• Q27103789
• Z361585418
• N-[2-(4-Hydroxyphenyl)acetyl]glycine, analytical reference material

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	97.18%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	94.02%	83.82%
CHEMBL221	P23219	Cyclooxygenase-1	91.61%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.14%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.29%	91.11%
CHEMBL2216739	Q92523	Carnitine O-palmitoyltransferase 1, muscle isoform	87.97%	88.33%
CHEMBL1255126	O15151	Protein Mdm4	85.58%	90.20%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.64%	94.45%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	82.59%	96.67%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.56%	95.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.30%	95.56%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.25%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.12%	96.09%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 440732
• LOTUS: LTS0146921
• wikiData: Q27103789