1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate

C9H15NO3CAS 85909-08-6185.22 g/mol

Open in Covalent MOL file
OONO
AmideCarbamateLactam

Properties

Molecular formula
C9H15NO3
Molar mass
185.22 g/mol
Exact mass
185.1052 Da
logP
1.54Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
85909-08-6
SMILES
CC(C)(C)OC(=O)N1CCCC1=O
InChIKey
GJJYYMXBCYYXPQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
  • N-(tert-Butoxycarbonyl)pyrrolidin-2-one
  • N-tert-Butoxycarbonyl-2-oxopyrrolidine
  • NSC 662770
  • N-(tert-Butyloxycarbonyl)pyrrolidin-2-one
  • 2-Oxopyrrolidine-1-carboxylic acid tert-butyl ester
  • tert-Butyl 2-Oxopyrrolidine-1-carboxylate
  • 1-(tert-Butoxycarbonyl)pyrrolidin-2-one
  • N-Boc-2-pyrrolidinone
  • 1-(tert-Butoxycarbonyl)-2-oxopyrrolidine

Work with 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate

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 2-oxopiperidine-1-carboxylate85908-96-990 % similar tert-Butyl 2,4-dioxopiperidine-1-carboxylate845267-78-964 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-955 % similar 1-Boc-pyrrolidine-2,4-dione182352-59-654 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-853 % similar N-Boc-hexahydro-1H-azepin-4-one188975-88-453 % similar 1-Boc-3-piperidone98977-36-753 % similar N-Boc-3-methylene-piperidine276872-89-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-7 tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-2 tert-Butyl 3-oxocyclobutylcarbamate154748-49-9 tert-Butyl 3-formylazetidine-1-carboxylate177947-96-5 tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-5 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-7 Ethyl 2-acetyl-3-(dimethylamino)acrylate51145-57-4 (S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone77877-19-1

Elsewhere

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