tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate

C₁₁H₁₉NO₃CAS 1147557-97-8213.28 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₁₉NO₃
Molar mass: 213.28 g/mol
Exact mass: 213.1365 Da
logP: 1.38Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% 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

1147557-97-8

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(C2)O

InChIKey

UMXXHZDEAZUQKZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h8,13H,4-7H2,1-3H3

Weigh it out

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

Work with tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate

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 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-268 % similar 1-N-Boc-3-hydroxyazetidine141699-55-066 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-262 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-359 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-559 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-559 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-959 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Boc-piperidine-3-carboxaldehyde118156-93-7 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-3 tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-6 tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-4 tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-2 N-Boc-hexahydro-1H-azepin-4-one188975-88-4 tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)790667-43-5

Elsewhere

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