(2R)-2-amino-3-(4-aminophenyl)propanoic acid

Details

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Internal ID afbb6329-0cbf-42d5-9f74-c6991d1984f4
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives
IUPAC Name (2R)-2-amino-3-(4-aminophenyl)propanoic acid
SMILES (Canonical) C1=CC(=CC=C1CC(C(=O)O)N)N
SMILES (Isomeric) C1=CC(=CC=C1C[C@H](C(=O)O)N)N
InChI InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m1/s1
InChI Key CMUHFUGDYMFHEI-MRVPVSSYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C9H12N2O2
Molecular Weight 180.20 g/mol
Exact Mass 180.089877630 g/mol
Topological Polar Surface Area (TPSA) 89.30 Ų
XlogP -2.20

Synonyms

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(R)-2-Amino-3-(4-aminophenyl)propanoic acid
4-Amino-D-phenylalanine
D-4-Aminophenylalanine
D-Phenylalanine, 4-amino-
(2R)-2-amino-3-(4-aminophenyl)propanoic acid
D-4-aminophe
(2R)-3-(4-aminophenyl)-2-ammoniopropanoate
p-Amino-D-phenylalanine acid
(2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate
MFCD00069926
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (2R)-2-amino-3-(4-aminophenyl)propanoic 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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.89% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.00% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 92.52% 83.82%
CHEMBL3492 P49721 Proteasome Macropain subunit 90.80% 90.24%
CHEMBL221 P23219 Cyclooxygenase-1 90.15% 90.17%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 89.84% 92.29%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 89.17% 95.50%
CHEMBL1255126 O15151 Protein Mdm4 88.65% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.51% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.65% 91.11%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 86.39% 97.21%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.01% 94.45%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 85.04% 95.48%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.84% 95.56%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.78% 96.95%

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.
Vigna vexillata

Cross-Links

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PubChem 1268124
LOTUS LTS0081127
wikiData Q104965161