Compound Summary
Compound Name: | Ibotenic acid |
Compound CID: | 1233 |
Synonyms: | Ibotenic acid |
Iupac Name: | 2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid |
InChI: | InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10) |
InChIKey: | IRJCBFDCFXCWGO-UHFFFAOYSA-N |
Canonical Smiles: | C1=C(ONC1=O)C(C(=O)O)N |
Isomeric Smiles: | C1=C(ONC1=O)C(C(=O)O)N |
Molecular Weight: | 158.11 |
Molecular Formula: | C5H6N2O4 |
Molecular Weight: | 158.11 |
Molecular Formula: | C5H6N2O4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 11 |
Complexity: | 235 |