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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL347862
CHEMBL347862
Compound Name CARBOXYMETHOXYLAMINE
ChEMBL Synonyms Aminooxy-Acetic Acid | Carboxymethoxylamine
Max Phase 0
Trade Names
Molecular Formula C2H5NO3

Additional synonyms for CHEMBL347862 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NOCC(=O)O
Standard InChI InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
Standard InChI Key NQRKYASMKDDGHT-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL347862

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
91.1 91.0269 -1.17 2 72.55 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.61 2.79 1.19 0 6 0.42

Structural Alerts

There are 2 structural alerts for CHEMBL347862. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NQRKYASMKDDGHT-UHFFFAOYSA-N
PubChem SID: 11110738 SID: 90340597
Wikipedia Aminooxyacetic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL347862



DrugBank DB02079
eMolecules 972365
EPA CompTox Dashboard DTXSID50214756
FDA SRS 14I68GI3OQ
Guide to Pharmacology 5136
IBM Patent System 5CCB23C7280AFC28D9B214D3B6DB02B4
Mcule MCULE-4566186819
MolPort MolPort-001-781-549
Nikkaji J36.275A
PDBe AOA
PubChem 286
PubChem: Thomson Pharma 15339066
SureChEMBL SCHEMBL98144

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