[3H]CGS19755   

GtoPdb Ligand ID: 4080

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 116.67
Molecular weight 223.06
XLogP -1.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1NCCC(C1)CP(=O)(O)O
Isomeric SMILES OC(=O)C1NCCC(C1)CP(=O)(O)O
InChI InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)
InChI Key LPMRCCNDNGONCD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-(phosphonomethyl)piperidine-2-carboxylic acid
Database Links
GtoPdb PubChem SID 178100903
PubChem CID 4324257
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