Ibotenic Acid 5mg

CAT: 0628-A14006-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A14006-5Size:5 mg

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CAS Number

2552-55-8

Chemical Information

Ibotenic Acid

Ibotenic acid is a non-proteinogenic alpha-amino acid. It has a role as a neurotoxin.

CAS Number	2552-55-8
PubChem CID	1233
IUPAC Name	2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
Molecular Formula	C5H6N2O4
Molecular Weight	158.11
XLogP	-3.9
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	235

SMILES

C1=C(ONC1=O)C(C(=O)O)N

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

Chemical Structure

2D Structure

CAS: 2552-55-8

CID: 1233

Formula: C5H6N2O4

MW: 158.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.11
XLogP3	-3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	158.03275668
Monoisotopic Mass	158.03275668
Topological Polar Surface Area	102 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A14006-50	Ibotenic Acid 50mg
A14006-10	Ibotenic Acid 10mg
A14006-100	Ibotenic Acid 100mg
A14006-25	Ibotenic Acid 25mg
A14006-1	Ibotenic Acid 1mg
A19304-5	Turbinaric acid 5mg
A19289-5	Aminomalonic acid 5mg
A18854-5	Argininic acid 5mg
A18984-5	Hydroxypyruvic acid 5mg
A18696-5	Hydroxyphenyllactic acid 5mg

Catalog	Name
abx282759-01	Ibotenic acid