2-Methylserine

Details

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Internal ID f22178e8-be2b-43e0-b9f2-01580467fb51
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
IUPAC Name 2-amino-3-hydroxy-2-methylpropanoic acid
SMILES (Canonical) CC(CO)(C(=O)O)N
SMILES (Isomeric) CC(CO)(C(=O)O)N
InChI InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
InChI Key CDUUKBXTEOFITR-UHFFFAOYSA-N
Popularity 24 references in papers

Physical and Chemical Properties

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Molecular Formula C4H9NO3
Molecular Weight 119.12 g/mol
Exact Mass 119.058243149 g/mol
Topological Polar Surface Area (TPSA) 83.60 Ų
XlogP -3.90

Synonyms

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5424-29-3
2-Methylserine
2-amino-3-hydroxy-2-methylpropanoic acid
DL-2-Methylserine
3398-40-1
2-Methyl-DL-serine
DL-Serine, 2-methyl-
alpha-Methylserine
.alpha.-Methyl-DL-serine
Serine, 2-methyl-, DL-
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-Methylserine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.13% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 86.79% 97.29%
CHEMBL2581 P07339 Cathepsin D 84.55% 98.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.10% 100.00%

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.
Sphagnum palustre

Cross-Links

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PubChem 94309
LOTUS LTS0094292
wikiData Q27102625