chempirical

(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

C11H19NO5CAS 74844-91-0245.27 g/mol

Open in Covalent MOL file
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AlcoholCarbamateEster

Properties

Molecular formula
C11H19NO5
Molar mass
245.27 g/mol
Exact mass
245.1263 Da
Melting point
91–94 °C
Boiling point
130–132 °C (at 0.05 Torr)
logP
0.53Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
74844-91-0
SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIKey
MZMNEDXVUJLQAF-SFYZADRCSA-N
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-trans)-
  • N-tert-Butoxycarbonyl-L-hydroxyproline methyl ester
  • Methyl N-tert-butoxycarbonyl-L-hydroxyprolinate
  • N-Boc-4-hydroxy-L-proline methyl ester
  • (2S,4R)-1-tert-Butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid methyl ester
  • 1-tert-Butyl 2-methyl 4(R)-hydroxypyrrolidine-1,2(S)-dicarboxylate
  • tert-Butyl (2S,4R)-2-(methoxycarbonyl)-4-hydroxypyrrolidine-1-carboxylate
  • 1-tert-Butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
  • Methyl (2S,4R)-N-tert-Butoxycarbonyl-4-hydroxy-2-pyrrolidinecarboxylate
  • N-(tert-Butoxycarbonyl)-(2S,4R)-4-hydroxyproline methyl ester
  • Methyl (4R)-N-Boc-4-hydroxy-L-prolinate
  • Methyl (2S,4R)-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylate
  • tert-Butyl methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
  • (2S,4R)-1-tert-Butoxycarbonyl-2-(methoxycarbonyl)-4-hydroxypyrrolidine
  • N-Boc-trans-4-hydroxyproline methyl ester
  • (2S,4R)-Methyl 1-(tert-butyloxycarbonyl)-4-hydroxypyrrolidine-2-carboxylate
  • 1-(tert-Butyl) 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

Work with (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

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-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate121148-00-369 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-16-469 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-18-669 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-768 % similar 1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate hydrochloride334999-32-565 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate487048-28-265 % similar 1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-259 % similar 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-9 (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-6 4-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-carboxylic acid172843-97-9

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