1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate

C₁₀H₁₅NO₅CAS 84348-37-8229.23 g/mol

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Alcohol Carboxylic Acid Ketone

Properties

Molecular formula: C₁₀H₁₅NO₅
Molar mass: 229.23 g/mol
Exact mass: 229.0950 Da
Melting point: 159–163 °C
logP: 0.65Crippen estimate
Polar surface area: 83.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

84348-37-8

SMILES

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

InChIKey

CKYGSXRXTIKGAJ-ZETCQYMHSA-N

InChI

InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h7H,4-5H2,1-3H3,(H,13,14)/t7-/m0/s1

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Names and synonyms

8 names

1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-
1-(tert-Butoxycarbonyl)-4-oxo-L-proline
(S)-1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid
N-Boc-4-oxo-L-proline
1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (S)-
N-tert-Butoxycarbonyl-4-oxo-L-proline
(2S)-1-(tert-Butoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic acid
N-tert-Butoxycarbonyl-4-keto-L-proline

Work with 1-(1,1-Dimethylethyl) (2S)-4-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)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-0

Elsewhere

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