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

C₁₀H₁₅NO₅CAS 53100-44-0229.23 g/mol

Open in Covalent MOL file

Alcohol Amide Carboxylic Acid

Properties

Molecular formula: C₁₀H₁₅NO₅
Molar mass: 229.23 g/mol
Exact mass: 229.0950 Da
Melting point: 65–67 °C
logP: 1.00Crippen estimate
Polar surface area: 83.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

53100-44-0

SMILES

CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)O

InChIKey

MJLQPFJGZTYCMH-LURJTMIESA-N

InChI

InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)/t6-/m0/s1

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Names and synonyms

7 names

1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-
1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (S)-
N-tert-Butoxycarbonyl-L-pyroglutamic acid
N-Boc-L-pyroglutamic acid
(S)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid
(2S)-1-[(tert-Butoxy)carbonyl]-5-oxopyrrolidine-2-carboxylic acid
(2S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

Work with 1-(1,1-Dimethylethyl) (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

Same formula

(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate41372-08-1 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-8

Elsewhere

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