7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate

C₁₄H₂₃NO₄CAS 873924-12-0269.34 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₄H₂₃NO₄
Molar mass: 269.34 g/mol
Exact mass: 269.1627 Da
logP: 2.50Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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 the 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

873924-12-0

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)O)C2

InChIKey

ASNXCLBPISBIFU-UHFFFAOYSA-N

InChI

InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-14(5-7-15)8-10(9-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)

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

Names and synonyms

3 names

7-Azaspiro[3.5]nonane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl) ester
7-(tert-Butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid
7-[(tert-Butoxy)carbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid

Work with 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate

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-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-370 % similar N-Boc-piperidine-4-carboxylic acid84358-13-470 % similar 7-Boc-7-azaspiro[3.5]nonane-2-methanol1356476-27-165 % similar 1-Boc-Azetidine-3-carboxylic acid142253-55-265 % similar (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-563 % similar 1-((tert-Butoxy)carbonyl)pyrrolidine-3-carboxylic acid59378-75-563 % similar (3R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid72925-16-763 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate125971-94-0 tert-Butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate135716-08-4

Elsewhere

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