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77006-29-2 | 5-Isoxazolepropanoicacid, a-amino-2,3-dihydro-4-methyl-3-oxo-
CAS No: 77006-29-2 Catalog No: AG00577Y MDL No:
Product Description
Catalog Number:
AG00577Y
Chemical Name:
5-Isoxazolepropanoicacid, a-amino-2,3-dihydro-4-methyl-3-oxo-
CAS Number:
77006-29-2
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
IUPAC Name:
2-amino-3-(4-methyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
InChI:
InChI=1S/C7H10N2O4/c1-3-5(13-9-6(3)10)2-4(8)7(11)12/h4H,2,8H2,1H3,(H,9,10)(H,11,12)
InChI Key:
QQKCZEULAPHDJP-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1onc(c1C)O)N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
186.167g/mol
Monoisotopic Mass:
186.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacology of 3-isoxazolol amino acids as selective antagonists at group I metabotropic glutamic acid receptors. | Journal of medicinal chemistry 20010329 |
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