1-(1,1-Dimethylethyl) 2-methyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate

C11H17NO5CAS 108963-96-8243.26 g/mol

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AmideCarbamateEsterLactam

Properties

Molecular formula
C11H17NO5
Molar mass
243.26 g/mol
Exact mass
243.1107 Da
Melting point
67–69 °C
logP
1.09Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
108963-96-8
SMILES
COC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIKey
FNTAOUUEQHKLIU-ZETCQYMHSA-N
InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-
  • 1-tert-Butyl 2-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
  • Methyl N-Boc-L-pyroglutamate
  • N-tert-Butoxycarbonylpyroglutamic acid methyl ester
  • N-Boc-L-Pyroglutamic acid methyl ester
  • 1-O-tert-Butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
  • (S)-1-tert-Butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate

Work with 1-(1,1-Dimethylethyl) 2-methyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate

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

Di-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate91229-91-382 % similar 1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-172 % similar 1-Boc-D-pyroglutamic acid ethyl ester144978-35-872 % similar (R)-Boc-5-oxopyrrolidine-2-carboxylic acid160347-90-065 % similar 1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-065 % similar 1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate113400-36-562 % similar Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-560 % similar Boc-L-pro-ome59936-29-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-2 (R)-1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate256487-77-1

Elsewhere

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