SCH 50911   Click here for help

GtoPdb Ligand ID: 1075

Synonyms: SCH-50911 | SCH50911
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 58.56
Molecular weight 173.11
XLogP -0.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CC1OCC(NC1)(C)C
Isomeric SMILES OC(=O)C[C@@H]1OCC(NC1)(C)C
InChI InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChI Key SEYCKMQSPUVYEF-LURJTMIESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
Synonyms Click here for help
SCH-50911 | SCH50911
Database Links Click here for help
CAS Registry No. 160415-07-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1895916
GtoPdb PubChem SID 135651028
PubChem CID 5311429
RCSB PDB Ligand 2BX
Search Google for chemical match using the InChIKey SEYCKMQSPUVYEF-LURJTMIESA-N
Search Google for chemicals with the same backbone SEYCKMQSPUVYEF
SynPHARM 2826 (in complex with GABAB receptor)
UniChem Compound Search for chemical match using the InChIKey SEYCKMQSPUVYEF-LURJTMIESA-N
UniChem Connectivity Search for chemical match using the InChIKey SEYCKMQSPUVYEF-LURJTMIESA-N
Wikipedia SCH-50911

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Tocris
SCH 50911
Cat. No. 0984