2-(2-Hydroxypropanamido) benzoic acid

Details

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Internal ID 06b485b7-61f9-4643-93fd-34835d8e8e45
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Acylaminobenzoic acid and derivatives
IUPAC Name 2-(2-hydroxypropanoylamino)benzoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H11NO4/c1-6(12)9(13)11-8-5-3-2-4-7(8)10(14)15/h2-6,12H,1H3,(H,11,13)(H,14,15)
InChI Key NPBSOOGJABVFSN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H11NO4
Molecular Weight 209.20 g/mol
Exact Mass 209.06880783 g/mol
Topological Polar Surface Area (TPSA) 86.60 Ų
XlogP 1.60

Synonyms

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2-[[(2S)-2-Hydroxy-1-oxopropyl]amino]benzoic acid
1616065-04-3

2D Structure

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2D Structure of 2-(2-Hydroxypropanamido) benzoic acid

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
CHEMBL2581 P07339 Cathepsin D 95.70% 98.95%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 95.42% 87.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.50% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.59% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.32% 85.14%
CHEMBL221 P23219 Cyclooxygenase-1 89.57% 90.17%
CHEMBL2535 P11166 Glucose transporter 88.74% 98.75%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.85% 95.50%
CHEMBL3308 P55212 Caspase-6 87.04% 97.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.83% 99.23%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 85.04% 93.00%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 84.49% 81.11%
CHEMBL5847 P52895 Aldo-keto reductase family 1 member C2 82.01% 92.50%
CHEMBL2321614 Q9NPC2 Potassium channel subfamily K member 9 81.87% 80.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.96% 100.00%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 80.93% 94.62%

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 72522970
LOTUS LTS0090167
wikiData Q77420753