2-Amino-4-carbamoylpent-4-enoic acid

Details

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Internal ID 1579da88-260c-4c5e-ac24-fe67208ca3c3
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-4-carbamoylpent-4-enoic acid
SMILES (Canonical) C=C(CC(C(=O)O)N)C(=O)N
SMILES (Isomeric) C=C(CC(C(=O)O)N)C(=O)N
InChI InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)
InChI Key CEVQXWMPODOBRM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C6H10N2O3
Molecular Weight 158.16 g/mol
Exact Mass 158.06914219 g/mol
Topological Polar Surface Area (TPSA) 106.00 Ų
XlogP -3.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Amino-4-carbamoylpent-4-enoic 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 93.55% 96.09%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 87.69% 92.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.34% 96.95%
CHEMBL233 P35372 Mu opioid receptor 86.26% 97.93%
CHEMBL1255126 O15151 Protein Mdm4 84.54% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.18% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.91% 91.11%

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.
Arachis hypogaea

Cross-Links

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PubChem 4627604
LOTUS LTS0166890
wikiData Q104956127