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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1162493
CHEMBL1162493
Compound Name
ChEMBL Synonyms 2-Acetamidosuccinate
Max Phase 0
Trade Names
Molecular Formula C6H9NO5

Additional synonyms for CHEMBL1162493 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NC(CC(=O)O)C(=O)O
Standard InChI InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H, ...
Download InChI
Standard InChI Key OTCCIMWXFLJLIA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1162493

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
175.1 175.0481 -1.28 4 103.7 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.14 - -2.21 -6.95 0 12 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL1162493. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OTCCIMWXFLJLIA-UHFFFAOYSA-N
PubChem SID: 26747875 SID: 56320696
Wikipedia N-Acetylaspartic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1162493



Brenda 105355 16518
eMolecules 534380
IBM Patent System FD6DADA495515EA23DE8E8ED52DDA922
Mcule MCULE-8912395007
MolPort MolPort-001-833-356
Nikkaji J2.442.766H
PubChem 97508
PubChem: Thomson Pharma 15041919
SureChEMBL SCHEMBL163861

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OTCCIMWXFLJLIA-UHFFFAOYSA-N spacer
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