Ureidosuccinic acid

Details

• Internal ID: 5e5bfb75-6ef9-433c-bf8c-a36ecc379e2b
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Aspartic acid and derivatives
• IUPAC Name: 2-(carbamoylamino)butanedioic acid
• SMILES (Canonical): C(C(C(=O)O)NC(=O)N)C(=O)O
• SMILES (Isomeric): C(C(C(=O)O)NC(=O)N)C(=O)O
• InChI: InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)
• InChI Key: HLKXYZVTANABHZ-UHFFFAOYSA-N
• Popularity: 136 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₈N₂O₅
• Molecular Weight: 176.13 g/mol
• Exact Mass: 176.04332136 g/mol
• Topological Polar Surface Area (TPSA): 130.00 Ų
• XlogP: -1.90

Synonyms

• Ureidosuccinic acid
• 2-Ureidosuccinic acid
• N-Carbamoyl-DL-aspartic acid
• 2-(carbamoylamino)butanedioic acid
• N-(Aminocarbonyl)-DL-aspartic acid
• N-(Aminocarbonyl)aspartic acid
• DL-Aspartic acid, N-(aminocarbonyl)-
• Carbamoyl-DL-aspartic acid
• Carbamylaspartic acid
• 2-Ureidobutanedioic acid
• NSC14983
• Carbamyl-dl-aspartic acid
• O3Y2KY16L1
• CHEBI:64850
• N-?Carbamoyl-?DL-?aspartic acid
• NSC-120033
• Succinic acid, ureido-
• Aspartic acid, N-carbamoyl-
• Aspartic acid, N-(aminocarbonyl)-
• N-carbamoylaspartate
• carbamoyl-aspartate
• carbamyul-aspartate
• carbamyl-L-aspartate
• carbamyul-L-aspartate
• UNII-O3Y2KY16L1
• NSC-14983
• N-CARBAMYL-DL-ASPARTIC ACID
• EINECS 213-096-6
• MFCD00042822
• carbamoyl-L-aspartate
• NSC 120033
• 2-isoureidosuccinic acid
• N-arbamoyl-L-spartic acid
• bmse000453
• DL-N-carbamoylaspartic acid
• SCHEMBL163119
• CHEMBL1161506
• SCHEMBL22718870
• AMY4428
• HLKXYZVTANABHZ-UHFFFAOYSA-N
• N-(Aminocarbonyl)aspartic acid #
• DTXSID701030182
• DL-2-UREIDOBUTANEDIOIC ACID
• NSC120033
• N-CARBAMOYLASPARTIC ACID, DL-
• AKOS003271980
• AKOS016844368
• AS-57486
• NCI60_001036
• HY-128425
• CS-0099507
• S6259
• Ureidosuccinic acid, 98.0-102.0% (T)
• EN300-30856
• D89188
• A915744
• Q2823324

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
CHEMBL4040	P28482	MAP kinase ERK2	97.75%	83.82%
CHEMBL221	P23219	Cyclooxygenase-1	96.25%	90.17%
CHEMBL1255126	O15151	Protein Mdm4	92.06%	90.20%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.29%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.83%	99.17%
CHEMBL3776	Q14790	Caspase-8	88.35%	97.06%
CHEMBL2581	P07339	Cathepsin D	87.67%	98.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	86.52%	100.00%
CHEMBL209	P07477	Trypsin I	82.58%	90.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.66%	91.11%
CHEMBL2334	P42574	Caspase-3	80.57%	98.25%
CHEMBL4801	P29466	Caspase-1	80.44%	96.85%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 279
• LOTUS: LTS0271655
• wikiData: Q2823324