1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

C₁₁H₁₇NO₅CAS 102195-80-2243.26 g/mol

Open in Covalent MOL file

Carbamate Ester Ketone

Properties

Molecular formula: C₁₁H₁₇NO₅
Molar mass: 243.26 g/mol
Exact mass: 243.1107 Da
logP: 0.74Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

102195-80-2

SMILES

CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)OC

InChIKey

UPBHYYJZVWZCOZ-QMMMGPOBSA-N

InChI

InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3/t8-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Boc-4-oxo-pro-ome

Work with 1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-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

1,2-Bis(1,1-dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate166410-05-581 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-864 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-959 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-659 % similar 1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate121148-00-359 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-159 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-16-459 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate203866-17-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(1,1-Dimethylethyl) 2-methyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate108963-96-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook