2-(Carbamoylamino)Pentanedioic Acid

Details

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Internal ID 34f3749e-e6ab-4731-8f43-ed8b2910405e
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives
IUPAC Name 2-(carbamoylamino)pentanedioic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)
InChI Key LCQLHJZYVOQKHU-UHFFFAOYSA-N
Popularity 116 references in papers

Physical and Chemical Properties

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Molecular Formula C6H10N2O5
Molecular Weight 190.15 g/mol
Exact Mass 190.05897142 g/mol
Topological Polar Surface Area (TPSA) 130.00 Ų
XlogP -2.40

Synonyms

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RefChem:1061513
N-carbamoylglutamic acid
40860-26-2
2-ureidopentanedioic acid
2-[(aminocarbonyl)amino]pentanedioic acid
N-Cbm-Glu-OH
n-carbamoylglutamate
NCGC00167549-01
2-ureidopentanedioicacid
bmse000376
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-(Carbamoylamino)Pentanedioic 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 99.35% 83.82%
CHEMBL221 P23219 Cyclooxygenase-1 97.43% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.34% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.74% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 91.65% 90.20%
CHEMBL2581 P07339 Cathepsin D 88.32% 98.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.01% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.15% 93.56%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 84.79% 92.26%
CHEMBL340 P08684 Cytochrome P450 3A4 84.39% 91.19%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 82.59% 92.29%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.40% 91.11%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 80.25% 96.03%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 3679006
LOTUS LTS0190662
wikiData Q27159095