guanidoacetic acid   

GtoPdb Ligand ID: 5325

Synonyms: glycocyamine | guanidineacetic acid | guanidinoacetate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 99.2
Molecular weight 117.05
XLogP -2.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=N)NCC(=O)O
Isomeric SMILES NC(=N)NCC(=O)O
InChI InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChI Key BPMFZUMJYQTVII-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
N-(aminoiminomethyl)-glycine
Synonyms
glycocyamine | guanidineacetic acid | guanidinoacetate
Database Links
CAS Registry No. 352-97-6 (source: Scifinder)
ChEBI CHEBI:16344
ChEMBL Ligand CHEMBL281593
GtoPdb PubChem SID 178101991
PubChem CID 763
RCSB PDB Ligand NMG
Search Google for chemical match using the InChIKey BPMFZUMJYQTVII-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BPMFZUMJYQTVII
Search UniChem for chemical match using the InChIKey BPMFZUMJYQTVII-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BPMFZUMJYQTVII
Wikipedia Glycocyamine