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Home > Encyclopedia > (2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid

(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid

(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid structure

(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid 

structure
  • CAS No:

    4071-39-0

  • Formula:

    C10H15NO4

  • Chemical Name:

    (2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid

  • 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

Description

Alpha-Allokainic acid is a pyrrolidinecarboxylic acid, a dicarboxylic acid and a L-proline derivative.

(2S,3S,4R)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid Basic Attributes

213.2304

213.23

Characteristics

86.6

-1.8

1.220±0.06 g/cm3(Predicted)

237-238 °C (decomp) @ Solvent: Water

Drug Information

(+)-alpha-allokainic acid

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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