2-Acetamido-3-hydroxypropanoic acid

Details

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Internal ID e21051ef-d955-4c6b-aae7-4c181ea6dab5
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids
IUPAC Name 2-acetamido-3-hydroxypropanoic acid
SMILES (Canonical) CC(=O)NC(CO)C(=O)O
SMILES (Isomeric) CC(=O)NC(CO)C(=O)O
InChI InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)
InChI Key JJIHLJJYMXLCOY-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C5H9NO4
Molecular Weight 147.13 g/mol
Exact Mass 147.05315777 g/mol
Topological Polar Surface Area (TPSA) 86.60 Ų
XlogP -1.20

Synonyms

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97-14-3
N-Acetyl-DL-serine
2-Acetylamino-3-hydroxypropanoic acid
2-(acetylamino)-3-hydroxypropanoic acid
DL-Serine, N-acetyl-
2-Acetylamino-3-hydroxy-propionic acid
N-Acetylserine #
N-Acetyl-D,L-serine
Serine, N-acetyl-, L-
SCHEMBL79541
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-Acetamido-3-hydroxypropanoic 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 94.47% 83.82%
CHEMBL2581 P07339 Cathepsin D 93.65% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.66% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 87.12% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.97% 99.17%
CHEMBL340 P08684 Cytochrome P450 3A4 84.26% 91.19%
CHEMBL1255126 O15151 Protein Mdm4 83.74% 90.20%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.46% 93.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.00% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.43% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.85% 94.33%

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.
Asparagus officinalis

Cross-Links

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PubChem 352294
LOTUS LTS0036591
wikiData Q82087037