chempirical

2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

C14H17NO5CAS 64187-48-0279.29 g/mol

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AlcoholCarbamateEster

Properties

Molecular formula
C14H17NO5
Molar mass
279.29 g/mol
Exact mass
279.1107 Da
logP
0.93Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
64187-48-0
SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1
InChIKey
VVKAGQHUUDRPOI-NEPJUHHUSA-N
InChI
InChI=1S/C14H17NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3/t11-,12+/m1/s1

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

Names and synonyms

9 names
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (2S,4R)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (2S-trans)-
  • N-(Benzyloxycarbonyl)-4-hydroxyproline methyl ester
  • NSC 293847
  • (2S,4R)-1-Benzyloxycarbonyl-4-hydroxypyrrolidin-2-carboxylic acid methyl ester
  • 1-Benzyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
  • (2S,4R)-1-(Benzyloxycarbonyl)-2-(methoxycarbonyl)-4-hydroxypyrrolidine
  • Methyl (2S,4R)-1-(benzyloxycarbonyl)-4-hydroxypyrrolidine-2-carboxylate
  • (2S,4R)-1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

Work with 2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-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

Similar compounds

1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-370 % similar 1-Benzyl 2-methyl piperazine-1,2-dicarboxylate126937-43-760 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-958 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-658 % similar (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester74844-91-058 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-655 % similar 3-Methyl 1-(phenylmethyl) 1,3-piperazinedicarboxylate129799-11-752 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-151 % similar

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

Elsewhere

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