1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate

C₁₂H₁₈N₂O₄CAS 487048-28-2254.29 g/mol

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Properties

Molecular formula: C₁₂H₁₈N₂O₄
Molar mass: 254.29 g/mol
Exact mass: 254.1267 Da
logP: 1.31Crippen estimate
Polar surface area: 79.6 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

Identifiers

CAS number

487048-28-2

SMILES

COC(=O)[C@@H]1C[C@H](C#N)CN1C(=O)OC(C)(C)C

InChIKey

GHLKJIQVORAVHE-BDAKNGLRSA-N

InChI

InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-7-8(6-13)5-9(14)10(15)17-4/h8-9H,5,7H2,1-4H3/t8-,9+/m1/s1

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Names and synonyms

3 names

1,2-Pyrrolidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
1-tert-Butyl 2-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
N-(tert-Butoxycarbonyl)-(4S)-4-cyano-L-proline methyl ester

Work with 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-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

Diethyl 2-propylimidazole-4,5-dicarboxylate144689-94-1 (αS)-α-Hydrazinyl-3,4-dimethoxy-α-methylbenzenepropanoic acid28860-96-0 N,N-Diethyl-p-phenylenediamine oxalate62637-92-7

Elsewhere

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