Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004579

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

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

External chemical identifiers:
CID:CID_16486, ChEMBL:CHEMBL1165239, ChEBI:CHEBI:6198, ZINC:ZINC000001698540, FDASRS:5GZ3E0L9ZU, SureChEMBL:SCHEMBL20296, MolPort-000-000-565

---

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

Link to spectral information:
MSBNK-Keio_Univ-KO000297, MSBNK-Keio_Univ-KO000298, MSBNK-Keio_Univ-KO000299

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CNC1

Scaffold Graph/Node level:
C1CNC1

Scaffold Graph level:
C1CCC1

---

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

---

Chemical structure download