NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[(2H3)methylamino]butanoic acid
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IUPAC Traditional name
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4-[(2H3)methylamino]butanoic acid
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Synonyms
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4-(Methylamino)butanoic Acid-d3
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N-Methyl-GABA-d3
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N-Methyl-γ-aminobutyric Acid-d3
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4-(Methylamino)butyric Acid-d3
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N-Methyl-4-aminobutyric Acid-d3
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.616822
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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-2.7044506
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LogD (pH = 7.4)
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-2.6614072
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Log P
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-2.6616933
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Molar Refractivity
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30.2324 cm3
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Polarizability
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12.004493 Å3
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Polar Surface Area
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49.33 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
Toronto Research Chemicals -
M285747
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A labelled GABA derivative and hydrolysis product of the industrial solvent, N-methyl-2-pyrrolidinone. Biologically it is a product of nicotine catabolism in bacteria and inhibits L-Carnitine from undergoing β-oxidation in mammals. It is commonly found i |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Wells, D., et al.: J. App. Toxicol., 8, 135 (1988)
- • Virmani, M., et al.: Pharmacol. Res., 33, 19 (1988)
- • Chiribau, C., et al.: J. Bacteriol., 187, 3062 (1988)
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PATENTS
PATENTS
PubChem Patent
Google Patent