1,1-Dimethylethyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

C₁₁H₁₇NO₃CAS 198835-06-2211.26 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₁H₁₇NO₃
Molar mass: 211.26 g/mol
Exact mass: 211.1208 Da
Melting point: 96 °C
logP: 1.58Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

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

Identifiers

CAS number

198835-06-2

SMILES

CC(C)(C)OC(=O)N1CC2CC1CC2=O

InChIKey

YGENGNQEVDONGO-UHFFFAOYSA-N

InChI

InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-8H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

2 names

2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester
tert-Butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

Work with 1,1-Dimethylethyl 5-oxo-2-azabicyclo[2.2.1]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

(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-553 % similar tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride134003-84-253 % similar 2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester198989-07-053 % similar 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-051 % similar tert-Butyl 4-(2-Bromoacetyl)piperidine-1-carboxylate301221-79-446 % similar tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-945 % similar tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-845 % similar 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-3 tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-5 Diethylamine salicylate4419-92-5 Metaproterenol586-06-1 Isoproterenol7683-59-2

Elsewhere

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