TPMPA   

GtoPdb Ligand ID: 4328

Synonyms: (1,2,5,6-tetrahydropyridine-4-yl)methylphosphinic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 66.55
Molecular weight 161.06
XLogP -0.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-]P(=O)(C1=CC[NH2+]CC1)C
Isomeric SMILES [O-]P(=O)(C1=CC[NH2+]CC1)C
InChI InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)
InChI Key MFUKVPOVVKKLRQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
P-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-phosphinate
Synonyms
(1,2,5,6-tetrahydropyridine-4-yl)methylphosphinic acid
Database Links
CAS Registry No. 182485-36-5 (source: Scifinder)
ChEMBL Ligand CHEMBL397209
GtoPdb PubChem SID 178101145
PubChem CID 5520
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TPMPA
Cat. No. 1040