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77006-27-0 | 4-Isoxazoleacetic acid,a-amino-2,3-dihydro-5-methyl-3-oxo-
CAS No: 77006-27-0 Catalog No: AG005EQF MDL No:
Product Description
Catalog Number:
AG005EQF
Chemical Name:
4-Isoxazoleacetic acid,a-amino-2,3-dihydro-5-methyl-3-oxo-
CAS Number:
77006-27-0
Molecular Formula:
C6H8N2O4
Molecular Weight:
172.1387
IUPAC Name:
2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetic acid
InChI:
InChI=1S/C6H8N2O4/c1-2-3(4(7)6(10)11)5(9)8-12-2/h4H,7H2,1H3,(H,8,9)(H,10,11)
InChI Key:
XIHYCWZNHQMZSX-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1c(C)onc1O)N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.14g/mol
Monoisotopic Mass:
172.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
Literature
| Title | Journal |
|---|---|
| The respective N-hydroxypyrazole analogues of the classical glutamate receptor ligands ibotenic acid and (RS)-2-amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid. | European journal of pharmacology 20040919 |
| A new highly selective metabotropic excitatory amino acid agonist: 2-amino-4-(3-hydroxy-5-methylisoxazol-4-yl)butyric acid. | Journal of medicinal chemistry 19960802 |
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