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

C₉H₁₈N₂O₃CAS 1008526-71-3202.25 g/mol

Open in Covalent MOL file

Alcohol Carbamate Primary amine

Properties

Molecular formula: C₉H₁₈N₂O₃
Molar mass: 202.25 g/mol
Exact mass: 202.1317 Da
logP: -0.07Crippen estimate
Polar surface area: 75.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1008526-71-3

SMILES

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

InChIKey

NVEHYSKQUSAZBP-UHFFFAOYSA-N

InChI

InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-5-9(13,4-10)6-11/h13H,4-6,10H2,1-3H3

Weigh it out

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

Names and synonyms

3 names

1-Azetidinecarboxylic acid, 3-(aminomethyl)-3-hydroxy-, 1,1-dimethylethyl ester
tert-Butyl 3-(aminomethyl)-3-hydroxyazetidine-1-carboxylate
1-Boc-3-hydroxy-3-(aminomethyl)azetidine

Work with 1,1-Dimethylethyl 3-(aminomethyl)-3-hydroxy-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

tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate392331-66-773 % similar 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-961 % similar 1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate1255666-59-154 % similar tert-Butyl 4-aminomethyl-4-fluoropiperidine-1-carboxylate620611-27-052 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-351 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-551 % similar tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-851 % similar tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-251 % similar

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

Same formula

4-(2-Hydroxyethyl)-piperazin-1-carboxylic acid ethyl ester14000-66-9 (3R,4R)-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate148214-90-8 (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine190792-74-6 DL-Alanyl-DL-leucine1999-42-4 L-Alanyl-L-leucine3303-34-2 L-Leucyl-L-alanine7298-84-2

Elsewhere

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