3-APPA   Click here for help

GtoPdb Ligand ID: 1081

Synonyms: 3-aminopropanephosphinic acid | APPA | CGP-27492
Compound class: Synthetic organic
Comment: ChEMBL represents this compound without the charge with the entry CHEMBL112203.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 122.04
XLogP -1.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCC[P+](=O)O
Isomeric SMILES NCCC[P+](=O)O
InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
InChI Key MQIWYGZSHIXQIU-UHFFFAOYSA-O
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-aminopropyl-hydroxy-oxophosphanium
Synonyms Click here for help
3-aminopropanephosphinic acid | APPA | CGP-27492
Database Links Click here for help
BindingDB Ligand 24184
CAS Registry No. 103680-47-3 (source: Scifinder)
GtoPdb PubChem SID 135649732
PubChem CID 6335948
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