CHEBI:76223 - 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

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ChEBI Name 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
ChEBI ID CHEBI:76223
ChEBI ASCII Name 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Definition A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H13NO3
Net Charge 0
Average Mass 255.26860
Monoisotopic Mass 255.08954
InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
InChIKey OZWKMVRBQXNZKK-UHFFFAOYSA-N
SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CHEBI:76223) is a amino acid (CHEBI:33709)
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CHEBI:76223) is a aromatic ketone (CHEBI:76224)
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CHEBI:76223) is a monocarboxylic acid (CHEBI:25384)
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CHEBI:76223) is a pyrrolizines (CHEBI:38522)
Incoming (R)-ketorolac (CHEBI:76227) is a 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CHEBI:76223)
(S)-ketorolac (CHEBI:76228) is a 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CHEBI:76223)
IUPAC Name
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Manual Xref Database
LSM-1526 LINCS
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Last Modified
24 February 2016
General Comment
2013-11-07 This entry is that for 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid with unspecified stereochemistry. The racemate, ketorolac, has a separate entry.