(±)-2-Azetidinecarboxylic acid

C4H7NO2CAS 2517-04-6101.11 g/mol

Open in Covalent MOL file
OOHNH
Carboxylic acidSecondary amine

Properties

Molecular formula
C4H7NO2
Molar mass
101.11 g/mol
Exact mass
101.0477 Da
Melting point
217 °C (decomposes)
logP
-0.57Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
2517-04-6
SMILES
O=C(O)C1CCN1
InChIKey
IADUEWIQBXOCDZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 2-Azetidinecarboxylic acid
  • DL-2-Azetidinecarboxylic acid
  • Azetidinecarboxylic acid

Work with (±)-2-Azetidinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Azetidine-2-carboxylic acid2133-34-8Defined stereoisomer D-Azetidine-2-carboxylic acid7729-30-8Defined stereoisomer

Similar compounds

Proline147-85-375 % similar D-Proline344-25-275 % similar DL-Proline609-36-975 % similar (+)-Pipecolic acid1723-00-872 % similar Pipecolic acid3105-95-172 % similar Pipecolic acid4043-87-272 % similar Pipecolic acid535-75-172 % similar (2R,4R)-4-Methylpiperidine-2-carboxylic acid74892-81-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Morpholinone109-11-5 3-Hydroxy-2-pyrrolidinone15166-68-4 3-Methyl-2-oxazolidinone19836-78-3 1-Aminocyclopropane-1-carboxylic acid22059-21-8 (R)-(+)-4-Hydroxy-2-pyrrolidinone22677-21-0 4-Hydroxy-2-pyrrolidinone25747-41-5 3-Azetidinecarboxylic acid36476-78-5

Elsewhere

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