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Home > Encyclopedia > 5-Amino-1,3-cyclohexadiene-1-carboxylic acid

5-Amino-1,3-cyclohexadiene-1-carboxylic acid

5-Amino-1,3-cyclohexadiene-1-carboxylic acid structure

5-Amino-1,3-cyclohexadiene-1-carboxylic acid 

structure
  • CAS No:

    59556-18-2

  • Formula:

    C7H9NO2

  • Chemical Name:

    5-Amino-1,3-cyclohexadiene-1-carboxylic acid

  • Synonyms:

    1,3-Cyclohexadiene-1-carboxylic acid,5-amino-;1,3-Cyclohexadiene-1-carboxylic acid,5-amino-,(±)-;5-Amino-1,3-cyclohexadiene-1-carboxylic acid;dl-Gabaculine;DL-Gabaculine;(±)-Gabaculine;3-Amino-4,6-cyclohexadienecarboxylic acid;NSC 329502;87980-11-8

Description

5-aminocyclohexa-1,3-diene-1-carboxylic acid is an alpha,beta-unsaturated monocarboxylic acid that is cyclohexa-1,3-diene-1-carboxylic acid carrying an amino group at position 5. It is a gamma-amino acid and an alpha,beta-unsaturated monocarboxylic acid.

5-Amino-1,3-cyclohexadiene-1-carboxylic acid Basic Attributes

139.15186

139.15

329502

DTXSID90274399

Characteristics

63.3

-2.2

Drug Information

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

3-amino-2,3-dihydrobenzoic acid

Computed Properties

Molecular Weight:139.15
XLogP3:-2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.063328530
Monoisotopic Mass:139.063328530
Topological Polar Surface Area:63.3
Heavy Atom Count:10
Complexity:206
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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