aminooxyacetic acid   

GtoPdb Ligand ID: 5136

Abbreviated name: AOA
Synonyms: AOAA | carboxymethoxylamine
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 72.55
Molecular weight 91.03
XLogP -1.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NOCC(=O)O
Isomeric SMILES NOCC(=O)O
InChI InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
InChI Key NQRKYASMKDDGHT-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
2-(aminooxy)acetic acid
Synonyms
AOAA | carboxymethoxylamine
Database Links
CAS Registry No. 645-88-5
ChEMBL Ligand CHEMBL347862
GtoPdb PubChem SID 178101828
PubChem CID 286
RCSB PDB Ligand AOA
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Wikipedia Aminooxyacetic_acid