Summary

IMPPAT Phytochemical identifier: IMPHY012022

Phytochemical name: 1-Methylpyrrolidine-2-carboxylic acid

Synonymous chemical names:
1-methylpyrrolidine-2-carboxylic acid

External chemical identifiers:
CID:557, SureChEMBL:SCHEMBL145545, MolPort-008-511-963

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Chemical structure information

SMILES:
CN1CCCC1C(=O)O

InChI:
InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)

InChIKey:
CWLQUGTUXBXTLF-UHFFFAOYSA-N

DeepSMILES:
CNCCCC5C=O)O

Functional groups:
CC(=O)O, CN(C)C

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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: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolidine alkaloids

NP-Likeness score: 0.139

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Chemical structure download