1,1-Dimethylethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

C₁₂H₁₉N₃O₄CAS 183673-70-3269.30 g/mol

Open in Covalent MOL file

Carbamate

Properties

Molecular formula: C₁₂H₁₉N₃O₄
Molar mass: 269.30 g/mol
Exact mass: 269.1376 Da
Melting point: 233–234 °C (decomposes)
logP: 1.64Crippen estimate
Polar surface area: 94.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

183673-70-3

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(O)N=C2O

InChIKey

DHJXKTPWDXJQEK-UHFFFAOYSA-N

InChI

InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)15-6-4-12(5-7-15)8(16)13-9(17)14-12/h4-7H2,1-3H3,(H2,13,14,16,17)

Weigh it out

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

Names and synonyms

4 names

1,3,8-Triazaspiro[4.5]decane-8-carboxylic acid, 2,4-dioxo-, 1,1-dimethylethyl ester
2,4-Dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester
tert-Butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
8-tert-Butoxycarbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Work with 1,1-Dimethylethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-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

1,1-Dimethylethyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate169206-67-153 % similar 1-Boc-4-methyl-piperidin-4-OL406235-30-152 % similar 1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-952 % similar 1-Boc-4-(hydroxymethyl)-4-methyl-piperidine236406-21-651 % similar 4-Amino-1-boc-piperidine-4-carboxylic acid183673-71-450 % similar tert-Butyl 4,4-difluoropiperidine-1-carboxylate281652-10-650 % similar 1-Boc-4-fluoro-4-piperidinecarboxylic acid614731-04-350 % similar tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-his(1-me)-oh61070-20-0

Elsewhere

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