1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate

C₁₁H₂₁NO₃CAS 1257293-79-0215.29 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₂₁NO₃
Molar mass: 215.29 g/mol
Exact mass: 215.1521 Da
logP: 1.62Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

1257293-79-0

SMILES

CC(C)(C)OC(=O)N1CC(C(C)(C)O)C1

InChIKey

GMOIZAKBLSIACP-UHFFFAOYSA-N

InChI

InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)12-6-8(7-12)11(4,5)14/h8,14H,6-7H2,1-5H3

Weigh it out

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

Names and synonyms

2 names

1-Azetidinecarboxylic acid, 3-(1-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester
3-(1-Hydroxy-1-methylethyl)azetidine-1-carboxylic acid tert-butyl ester

Work with 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate

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

1-N-Boc-3-hydroxyazetidine141699-55-063 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-663 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-260 % similar 1-Boc-azetidine-3-ylmethanol142253-56-359 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-058 % similar 1-Boc-3-(amino)azetidine193269-78-258 % similar tert-Butyl 3-iodoazetidine-1-carboxylate254454-54-158 % similar 1-Boc-Azetidine-3-carboxylic acid142253-55-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-3 Boc-trans-4-aminocyclohexanol111300-06-2 N-Boc-piperidine-3-methanol116574-71-1 N-Boc-4-piperidinemethanol123855-51-6 tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-7 tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-8 N-Boc-piperidine-2-methanol157634-00-9 tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-6

Elsewhere

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