(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid
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(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid
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CAS No:
4071-39-0
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Formula:
C10H15NO4
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Chemical Name:
(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid
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Synonyms:
3-Pyrrolidineacetic acid,2-carboxy-4-(1-methylethenyl)-,(2S,3S,4R)-;3-Pyrrolidineacetic acid,2-carboxy-4-isopropenyl-,L-α-allo-;3-Pyrrolidineacetic acid,2-carboxy-4-(1-methylethenyl)-,[2S-(2α,3β,4α)]-;Allokainic acid;(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid;L-α-allo-Kainic acid;α-Allokainic acid;(2α,3β,4α)-2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid;(+)-Allokainic acid;(+)-α-Allokainic acid;(+)-allo-Kainic acid;642-87-5;51888-61-0
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CAS No:
Description
Alpha-Allokainic acid is a pyrrolidinecarboxylic acid, a dicarboxylic acid and a L-proline derivative.
Computed Properties
Molecular Weight:213.23
XLogP3:-1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:213.10010796
Monoisotopic Mass:213.10010796
Topological Polar Surface Area:86.6
Heavy Atom Count:15
Complexity:300
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid
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