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162254314 molecular structure
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2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl)(1,2-13C2)propanoic acid

ChemBase ID: 160179
Molecular Formular: C7H10N2O4
Molecular Mass: 189.14401857
Monoisotopic Mass: 189.06780138
SMILES and InChIs

SMILES:
c1(noc(c1C[13CH]([15NH2])[13C](=O)O)C)O
Canonical SMILES:
O[13C](=O)[13CH](Cc1c(C)onc1O)[15NH2]
InChI:
InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/i5+1,7+1,8+1
InChIKey:
UUDAMDVQRQNNHZ-QIOHBQFSSA-N

Cite this record

CBID:160179 http://www.chembase.cn/molecule-160179.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl)(1,2-13C2)propanoic acid
IUPAC Traditional name
2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl)(1,2-13C2)propanoic acid
Synonyms
D,L-α-Amino-3-hydroxy-5-methylisoxazole-4-propionic Acid-13C2,15N
AMPA-13C2,15N
γ-Amino-3-hydroxy-5-methylisoxazole-4-propionic Αcid-13C2,15N
(R,S)-α-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid-13C2,15N
PubChem SID
162254314
PubChem CID
71313265

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611502 external link Add to cart
PubChem 71313265 external link
Data Source Data ID Price
TRC
A611502 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313265 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.5563054  H Acceptors
H Donor LogD (pH = 5.5) -2.4256098 
LogD (pH = 7.4) -3.4511206  Log P -2.3328915 
Molar Refractivity 44.0024 cm3 Polarizability 16.434475 Å3
Polar Surface Area 109.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Brown Solid expand Show data source
Melting Point
>210°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A611502 external link
A potent and selective agonist of the putative, excitatory neurotransmitter L-glutamic acid. AMPA does not interfere with binding sites for kainic acid in vitro, and AMPA- induced neuronal excitation is not significantly affected by NMDA antagonists.

REFERENCES

REFERENCES

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  • • Krogsgaard-Larsen, et al.: Nature, 284, 64 (1980)
  • • Honore, T., et al.: J. Neurochem., 38, 173 (1980)
  • • MacDonald, J.F., et al.: Science, 253, 1132 (1991)
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PATENTS

PATENTS

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INTERNET

INTERNET

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