(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoic acid

Details

• Internal ID: 44797b20-efa2-465c-be4a-7a62d34177e8
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives
• IUPAC Name: (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoic acid
• SMILES (Canonical): CN(C)C(CC1=CC=C(C=C1)O)C(=O)O
• SMILES (Isomeric): CN(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)O
• InChI: InChI=1S/C11H15NO3/c1-12(2)10(11(14)15)7-8-3-5-9(13)6-4-8/h3-6,10,13H,7H2,1-2H3,(H,14,15)/t10-/m0/s1
• InChI Key: WJJGAKCAAJOICV-JTQLQIEISA-N
• Popularity: 40 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₅NO₃
• Molecular Weight: 209.24 g/mol
• Exact Mass: 209.10519334 g/mol
• Topological Polar Surface Area (TPSA): 60.80 Ų
• XlogP: -0.80

Synonyms

• (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoic acid
• dimethyltyrosine
• SCHEMBL38225
• EN300-365390
• (S)-2-(Dimethylamino)-3-(4-hydroxyphenyl)propanoicacid
• (S)-2-(Dimethylamino)-3-(4-hydroxyphenyl)propanoic 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
CHEMBL2581	P07339	Cathepsin D	98.06%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.28%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.73%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.30%	95.56%
CHEMBL1255126	O15151	Protein Mdm4	85.28%	90.20%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	84.86%	91.71%
CHEMBL3401	O75469	Pregnane X receptor	81.27%	94.73%
CHEMBL1944	P08473	Neprilysin	81.24%	92.63%
CHEMBL2514	O95665	Neurotensin receptor 2	81.01%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44249371
• LOTUS: LTS0007110
• wikiData: Q105306827