Summary

IMPPAT Phytochemical identifier: IMPHY011490

Phytochemical name: (S)-Azetidine-2-carboxylic acid

Synonymous chemical names:
acetidine-2-carbonic-acid, azetidine-2-carboxylic acid, l-azetidine-2-carboxylic-acid

External chemical identifiers:
CID:16486, ChEMBL:CHEMBL1165239, ChEBI:6198, ZINC:ZINC000001698540, FDASRS:5GZ3E0L9ZU, SureChEMBL:SCHEMBL20296, MolPort-000-000-565

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Chemical structure information

SMILES:
OC(=O)[C@@H]1CCN1

InChI:
InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1

InChIKey:
IADUEWIQBXOCDZ-VKHMYHEASA-N

DeepSMILES:
OC=O)[C@@H]CCN4

Functional groups:
CC(=O)O, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CNC1

Scaffold Graph/Node level:
C1CNC1

Scaffold Graph level:
C1CCC1

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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: 1.288

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Chemical structure download