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

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

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

Names and synonyms

1 names

3-Azetidinecarboxylic acid, methyl ester, hydrochloride

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 isonipecotate hydrochloride7462-86-467 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-759 % similar Methyl cyclopropanecarboxylate2868-37-356 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-256 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-056 % similar Methyl 4-oxo-3-piperidinecarboxylate hydrochloride71486-53-853 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-152 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride114676-59-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

D-2-Allylglycine hydrochloride108412-04-0 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-0

Elsewhere

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