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ATPA

CAT: 0607-B6599-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6599-50Size:50 mg
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Description
GluR5 kainate receptor agonist
CAS Number
140158-50-5
Product Name Alternative
(R)-2-amino-3-(5-(tert-butyl)-3-oxo-2,3-dihydroisoxazol-4-yl)propanoic acid
Field of Research
Membrane Transporter Ion Channel Kainate Receptors
Purity
0.98
Form
White crystalline powder
Solubility
insoluble in H2O; <22.82mg/ml in 1eq. NaOH
Smiles
O=C1NOC(C(C)(C)C)=C1C[C@H](C(O)=O)N
Molecular Formula
C10H16N2O4
Molecular Weight
228.25
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propanoic acid

2-amino-3-(5-tert-butyl-3-oxo-4-isoxazolyl)propanoic acid is an alpha-amino acid.

CAS Number140158-50-5
PubChem CID2253
IUPAC Name2-amino-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
Molecular FormulaC10H16N2O4
Molecular Weight228.24
XLogP-1.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity354
SMILES
CC(C)(C)C1=C(C(=O)NO1)CC(C(=O)O)N
InChI
InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKey
PIXJURSCCVBKRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propanoic acid
CAS: 140158-50-5
CID: 2253
Formula: C10H16N2O4
MW: 228.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.24
XLogP3-1.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass228.11100700
Monoisotopic Mass228.11100700
Topological Polar Surface Area102 Ų
Heavy Atom Count16
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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