Azetidinecarboxylic Acid
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Basic information
- CAS
20063-89-2- Standard SMILES
O=C(O)C1CCN1- InChIKey
IADUEWIQBXOCDZ-UHFFFAOYSA-N- Molecular formula
- C4H7NO2
- Average molar mass
- 101.1 g/mol
- Monoisotopic mass
- 101.04767846
Overview
Azetidine-2-carboxylic acid is an azetidinecarboxylic acid that is azetidine substituted by a carboxy group at position 2. It is a plant non-protein amino acid. It has a role as a teratogenic agent and a plant metabolite. It is an amino acid and an azetidinecarboxylic acid.
Names & identifiers
- Preferred name
- Azetidinecarboxylic Acid
- IUPAC
- azetidine-2-carboxylic acid
- English name
- DL-Azetidine-2-carboxylic acid
- Molecular formula
- C4H7NO2
- Molecular weight
- 101.1
Names & synonyms
Azetidinecarboxylic acidRefChem:196335Azetidine 2 carboxylic AcidCHEBI:46891Azetidine-2-carboxylic acid2517-04-62-AZETIDINECARBOXYLIC ACID20063-89-2DL-Azetidine-2-carboxylic acidDL-2-Azetidinecarboxylic acidD,L-Azetidine-2-carboxylic Acidazetidine-2-carboxylicacid
Show more names
2-azetidin-1-iumcarboxylateAzetidine-2-carboxylic ac...azetidin-1-ium-2-carboxylateAzetidine-2-carboxylic acid ,98%(S)-(-)-2-Azetidinecarboxlic acidDl-azacyclobutane-2-carboxylic acid
H-Aze-OHMFCD00066660CHEMBL33592CHEBI:38108AZETIDINE-2-CARBOXYLICACID (L-)775261TI36D-2-Azetidinecarboxylic acid(S)-2-Azetidinecarboxylic acid;H-Aze-OH
Database identifiers
- CAS
20063-89-2、2133-34-8、2517-04-6- PubChem CID
- 17288
Properties
Computed structural propertiesFilling in
- XLogP
- -2.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 91.7
Experimental & physicochemical properties
Melting Point217 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 200 · 200-202°C
- storage temp.
- Refrigerator
- solubility
- Water
- form
- Solid
- color
- White
- InChI
- 1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
- InChIKey
- IADUEWIQBXOCDZ-UHFFFAOYSA-N
- SMILES
- OC(=O)C1CCN1
- CAS DataBase Reference
- 20063 · 20063-89-2
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 29329990
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318-H302
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesDL-Azetidine-2-carboxylic acid is a four-membered ring analog of L-Proline,it is a useful intermediate in the synthesis of polypeptides.
Upstream & downstream products
Upstream raw materials
Related reactions
19 records
Compound notes
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