Di-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate

C14H23NO5CAS 91229-91-3285.34 g/mol

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AmideCarbamateEsterLactam

Properties

Molecular formula
C14H23NO5
Molar mass
285.34 g/mol
Exact mass
285.1576 Da
logP
2.25Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
91229-91-3
SMILES
CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIKey
INVKHBRFFCQICU-VIFPVBQESA-N
InChI
InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1

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Names and synonyms

1 names
  • (S)-N-Alpha-T-butyloxycarbonyl-pyroglutamic acid T-butyl ester

Work with Di-tert-butyl (2S)-5-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-(1,1-Dimethylethyl) 2-methyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate108963-96-882 % similar 1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-178 % similar 1-Boc-D-pyroglutamic acid ethyl ester144978-35-878 % similar (R)-Boc-5-oxopyrrolidine-2-carboxylic acid160347-90-070 % similar 1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-070 % similar 1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate113400-36-566 % similar Boc-L-pyroglutaminol81658-25-560 % similar 1,1-Dimethylethyl (2R)-2-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-1-pyrrolidinecarboxylate102185-34-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-tert-Butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate141642-82-2 1,2-Bis(1,1-dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate166410-05-5

Elsewhere

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