5-[Amino(carboxy)methyl]-2-hydroxybenzoic acid

Details

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Internal ID 1139bdb1-866d-4c44-947b-35ff68dc0808
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylic acids
IUPAC Name 5-[amino(carboxy)methyl]-2-hydroxybenzoic acid
SMILES (Canonical) C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)O
SMILES (Isomeric) C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)O
InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-6(11)5(3-4)8(12)13/h1-3,7,11H,10H2,(H,12,13)(H,14,15)
InChI Key CHZBCZTXSTWCIG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C9H9NO5
Molecular Weight 211.17 g/mol
Exact Mass 211.04807239 g/mol
Topological Polar Surface Area (TPSA) 121.00 Ų
XlogP -1.20

Synonyms

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(RS)-3-CARBOXY-4-HYDROXYPHENYLGLYCINE
5-[amino(carboxy)methyl]-2-hydroxybenzoic acid
alpha-Amino-3-carboxy-4-hydroxybenzeneacetic acid
5-(Amino(carboxy)methyl)-2-hydroxybenzoic acid
L-(3-Carboxy-4-hydroxyphenyl)glycine
SCHEMBL1512886
CHEBI:93840
HMS3266G11
HMS3266G13
BRD-A30395175-001-01-2
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 5-[Amino(carboxy)methyl]-2-hydroxybenzoic 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
CHEMBL4040 P28482 MAP kinase ERK2 99.49% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.70% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.97% 99.15%
CHEMBL3194 P02766 Transthyretin 90.21% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.02% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.87% 96.09%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 86.97% 94.42%
CHEMBL2581 P07339 Cathepsin D 85.22% 98.95%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.13% 90.71%
CHEMBL1811 P34995 Prostanoid EP1 receptor 83.44% 95.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.81% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.41% 99.17%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 80.56% 94.62%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.30% 93.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Caylusea abyssinica
Reseda luteola

Cross-Links

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PubChem 4014619
LOTUS LTS0022054
wikiData Q27165576