Compound Summary


  Compound Information
 Ibotenic acid

Compound Name:

Ibotenic acid

Compound CID:

1233

Synonyms:

Ibotenic acid

2552-55-8

Ibotenate

(+/-)-Ibotenic acid

Amanita muscaria

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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

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Ibotenic acid

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

  Synonyms
 Ibotenic acid

  Experimental Data
 Ibotenic acid

  Experimental Data Visualization
 Ibotenic acid

  Statistics Data
 Ibotenic acid

  Statistics Data Visualization
 Ibotenic acid