(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid

Details

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Internal ID d7680af4-1a47-4eaf-a321-652c9a56c897
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > D-alpha-amino acids
IUPAC Name (2R)-2-amino-3-(carbamoylamino)oxypropanoic acid
SMILES (Canonical) C(C(C(=O)O)N)ONC(=O)N
SMILES (Isomeric) C([C@H](C(=O)O)N)ONC(=O)N
InChI InChI=1S/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1
InChI Key ZFLDWYJOQSXISF-UWTATZPHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C4H9N3O4
Molecular Weight 163.13 g/mol
Exact Mass 163.05930578 g/mol
Topological Polar Surface Area (TPSA) 128.00 Ų
XlogP -4.60

Synonyms

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o-(carbamoylamino)-d-serine
(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid
53459-31-7
CHEBI:74212
DTXSID401300106
O-[(Aminocarbonyl)amino]-D-serine
NSC 163539
C20651
(2R)-2-Amino-3-[(carbamoylamino)oxy]propanoate
Q27144525

2D Structure

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2D Structure of (2R)-2-Amino-3-(carbamoylamino)oxypropanoic 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 94.91% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 94.74% 83.82%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 91.60% 97.21%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 90.77% 96.95%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 90.39% 92.29%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.04% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.60% 99.17%
CHEMBL221 P23219 Cyclooxygenase-1 87.56% 90.17%
CHEMBL3437 Q16853 Amine oxidase, copper containing 84.27% 94.00%
CHEMBL233 P35372 Mu opioid receptor 83.57% 97.93%
CHEMBL1255126 O15151 Protein Mdm4 83.47% 90.20%
CHEMBL340 P08684 Cytochrome P450 3A4 82.15% 91.19%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.24% 94.33%

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 185742
LOTUS LTS0204704
wikiData Q27144525