Summary

IMPPAT Phytochemical identifier: IMPHY005841

Phytochemical name: 4-Methyleneproline

Synonymous chemical names:
4-methyleneproline

External chemical identifiers:
CID:558375, SureChEMBL:SCHEMBL2011682

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Chemical structure information

SMILES:
OC(=O)C1CC(=C)CN1

InChI:
InChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9)

InChIKey:
PEYQZZMUNYLHII-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCC=C)CN5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCNC1

Scaffold Graph/Node level:
CC1CCNC1

Scaffold Graph level:
CC1CCCC1

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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: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.967

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Chemical structure download