Methyl azetidine-3-carboxylate hydrochloride

C₅H₁₀ClNO₂CAS 100202-39-9151.59 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₅H₁₀ClNO₂
Molar mass: 151.59 g/mol
Exact mass: 151.0400 Da
logP: -0.20Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

100202-39-9

SMILES

COC(=O)C1CNC1.Cl

InChIKey

UOCWTLBPYROHEF-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

3-Azetidinecarboxylic acid, methyl ester, hydrochloride

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100202-39-9. Each row opens the sheet with its composition and PDF.

Methyl azetidine-3-carboxylate hydrochloride ≤ 100 %Fisher Scientific · 2025-12-23

Open in the SDS library

Work with Methyl azetidine-3-carboxylate hydrochloride

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

Similar compounds

Methyl 3-pyrrolidinecarboxylate hcl198959-37-473 % similar (R)-Methyl pyrrolidine-3-carboxylate hydrochloride874964-22-473 % similar (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-669 % similar Methyl isonipecotate hydrochloride7462-86-467 % similar Methyl 3-pyrrolidinecarboxylate98548-90-463 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-759 % similar Methyl piperidine-3-carboxylate50585-89-259 % similar Methyl isonipecotate2971-79-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

D-2-Allylglycine hydrochloride108412-04-0 L-2-Allylglycine hydrochloride195316-72-4 Methyl 1-aminocyclopropane-1-carboxylate hydrochloride72784-42-0 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-0

Elsewhere

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