2-Acetamido-2-[4-(ethoxycarbonylamino)phenyl]acetic acid

Details

• Internal ID: 0dadd4aa-974e-4b3c-bcef-edeb2f9f84d8
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids
• IUPAC Name: 2-acetamido-2-[4-(ethoxycarbonylamino)phenyl]acetic acid
• InChI: InChI=1S/C13H16N2O5/c1-3-20-13(19)15-10-6-4-9(5-7-10)11(12(17)18)14-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)
• InChI Key: LXZCEJOKBHKJLM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₆N₂O₅
• Molecular Weight: 280.28 g/mol
• Exact Mass: 280.10592162 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 0.80

Synonyms

• 2-acetamido-2-[4-(ethoxycarbonylamino)phenyl]acetic 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
CHEMBL4040	P28482	MAP kinase ERK2	95.11%	83.82%
CHEMBL3401	O75469	Pregnane X receptor	94.61%	94.73%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	91.37%	97.21%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.44%	94.45%
CHEMBL3359	P21462	Formyl peptide receptor 1	88.80%	93.56%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	88.72%	81.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.98%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.79%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.52%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.40%	99.17%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	86.15%	94.33%
CHEMBL340	P08684	Cytochrome P450 3A4	82.88%	91.19%
CHEMBL4973	P43004	Excitatory amino acid transporter 2	80.40%	98.75%

Plants that contains it

• Calotropis gigantea

Cross-Links

• PubChem: 15518389
• LOTUS: LTS0024539
• wikiData: Q105159176