1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

C₁₂H₁₉NO₅CAS 146256-98-6257.29 g/mol

Open in Covalent MOL file

Carbamate Ester Ketone

Properties

Molecular formula: C₁₂H₁₉NO₅
Molar mass: 257.29 g/mol
Exact mass: 257.1263 Da
Melting point: 54 °C
logP: 0.99Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

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 irritation83.3% of notifiers

Aggregated from 6 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

146256-98-6

SMILES

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC1=O

InChIKey

CWRFSVAKVCSOPI-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3

Weigh it out

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

Names and synonyms

2 names

1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-pyrrolidinedicarboxylate
1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester

Work with 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-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-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate71233-25-577 % similar 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-577 % similar 1-tert-Butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate141642-82-265 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-260 % similar Ethyl N-cbz-4-oxopyrrolidine-3-carboxylate51814-19-859 % similar 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-459 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-358 % similar tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-1 1-Boc-D-pyroglutamic acid ethyl ester144978-35-8 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate161491-24-3 1-tert-Butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate81357-18-8

Elsewhere

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