(S)-hexylhomoibotenic acid

Ligand id: 5448

Name: (S)-hexylhomoibotenic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 101.65
Molecular weight 256.14
XLogP 0.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-3-(4-hexyl-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)propanoic acid
Synonyms
(S)-HexylHIBO
Database Links
CAS Registry No. 334887-48-8 (source: Scifinder)
ChEMBL Ligand CHEMBL273291
PubChem CID 6604908
Search Google for chemical match using the InChIKey OKJBLHIYOWSQDJ-VIFPVBQESA-N
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Search UniChem for chemicals with the same backbone OKJBLHIYOWSQDJ