chempirical

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

C14H23NO5CAS 91229-91-3285.34 g/mol

Open in Covalent MOL file
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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. Search the SDS library

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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