chempirical

1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

C13H15NO5CAS 13504-85-3265.26 g/mol

Open in Covalent MOL file
OOHOHNOO
AlcoholCarbamateCarboxylic acid

Properties

Molecular formula
C13H15NO5
Molar mass
265.26 g/mol
Exact mass
265.0950 Da
logP
0.84Crippen estimate
Polar surface area
87.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
13504-85-3
SMILES
O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1
InChIKey
WWVCWLBEARZMAH-MNOVXSKESA-N
InChI
InChI=1S/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)/t10-,11+/m1/s1

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Names and synonyms

13 names · show all
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S,4R)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-benzyl ester, L-trans-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S-trans)-
  • 1-(Benzyloxycarbonyl)-4-hydroxy-L-proline
  • N-Carbobenzoxy-4-hydroxy-L-proline
  • N-(Benzyloxycarbonyl)-trans-4-hydroxy-L-proline
  • 1-(Benzyloxycarbonyl)-trans-4-hydroxy-(S)-proline
  • trans-N-(Benzyloxycarbonyl)-4-hydroxy-L-proline
  • 4-(R)-Hydroxy-1-(phenylmethoxycarbonyl)-L-proline
  • (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-benzyl ester
  • (2S,4R)-1-[(Benzyloxy)carbonyl]-4-hydroxy-2-pyrrolidinecarboxylic acid
  • (2S,4R)-1-(Benzyloxycarbonyl)-4-hydroxyproline
  • (2S,4R)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic Acid

Work with 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

2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-070 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-866 % similar Benzyloxycarbonyl-L-proline1148-11-463 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-563 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-659 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-758 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-056 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-154 % similar

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

Same formula

(2S,4S)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid13504-86-4

Elsewhere

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