sarcosine   

GtoPdb Ligand ID: 4713

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 49.33
Molecular weight 89.05
XLogP -0.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNCC(=O)O
Isomeric SMILES CNCC(=O)O
InChI InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChI Key FSYKKLYZXJSNPZ-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
2-(methylamino)acetic acid
Database Links
CAS Registry No. 107-97-1 (source: Scifinder)
ChEBI CHEBI:15611
ChEMBL Ligand CHEMBL304383
GtoPdb PubChem SID 178101424
PubChem CID 1088
RCSB PDB Ligand SAR
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Wikipedia Sarcosine

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Sarcosine
Cat. No. 2975