3-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester

C₁₀H₁₅NO₂CAS 287193-01-5181.23 g/mol

Open in Covalent MOL file

Alkyne Carbamate

Properties

Molecular formula: C₁₀H₁₅NO₂
Molar mass: 181.23 g/mol
Exact mass: 181.1103 Da
logP: 1.49Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

287193-01-5

SMILES

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

InChIKey

UENGYBYGCXKNRF-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO2/c1-5-8-6-11(7-8)9(12)13-10(2,3)4/h1,8H,6-7H2,2-4H3

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Names and synonyms

1 names

tert-Butyl 3-ethynylazetidine-1-carboxylate

Work with 3-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester

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

tert-Butyl 3-ethynylpiperidine-1-carboxylate664362-16-774 % similar 1-Boc-4-ethynylpiperidine287192-97-672 % similar 1-Boc-3-cyanoazetidine142253-54-167 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-063 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-260 % similar 1-N-Boc-3-hydroxyazetidine141699-55-058 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-658 % similar 1-Boc-3-(amino)azetidine193269-78-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Methoxy-phenoxy)-propylamine100841-00-7 3-Azaspiro[5.5]undecane-2,4-dione1130-32-1 (2A,6A,8A,9Ab)-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one115956-07-5 N-Phenyldiethanolamine120-07-0 3,4-Dimethoxyphenethylamine120-20-7 2,3-Dimethoxyphenethylamine3213-29-4 2C-H3600-86-0 (±)-Hydroxyephedrine365-26-4

Elsewhere

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