Summary

IMPPAT Phytochemical identifier: IMPHY013866

Phytochemical name: 2-Pyrrolidineacetic acid

Synonymous chemical names:
2-pyrrolidine acetic acid

External chemical identifiers:
CID:123784, ChEBI:166840, FDASRS:C7315YL6ZG, SureChEMBL:SCHEMBL1476244, MolPort-000-004-343

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Chemical structure information

SMILES:
OC(=O)CC1CCCN1

InChI:
InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)

InChIKey:
ADSALMJPJUKESW-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCN5

Functional groups:
CC(=O)O, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.153

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Chemical structure download