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CHEBI:176912 - (1S)-isoindoline-1-carboxylic acid

ChEBI IDCHEBI:176912
ChEBI Name(1S)-isoindoline-1-carboxylic acid
Stars
ASCII Name(1S)-isoindoline-1-carboxylic acid
DefinitionA non-proteinogenic α-amino acid in which benzene is ortho-fused onto the C-3‒C-4 bond of L-proline.
Last Modified28 July 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H9NO2
Net Charge0
Average Mass163.176
Monoisotopic Mass163.06333
SMILESO=C(O)[C@H]1NCc2ccccc21
InChIInChI=1S/C9H9NO2/c11-9(12)8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1
InChIKeyOFKFBEJYOHXPIA-QMMMGPOBSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(1S)-isoindoline-1-carboxylic acid (CHEBI:176912) is a non-proteinogenic α-amino acid (CHEBI:83925)
IUPAC Name 
(1S)-2,3-dihydro-1H-isoindole-1-carboxylic acid
Synonyms  Source
DiscChEBI
(1,3)-dihydro-2H-isoindole-(S)-2-carboxylic acidChEBI
Citations