chempirical

1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate

C13H13NO5CAS 32159-21-0263.25 g/mol

Open in Covalent MOL file
OOHONOO
AmideCarbamateCarboxylic acidLactam

Properties

Molecular formula
C13H13NO5
Molar mass
263.25 g/mol
Exact mass
263.0794 Da
Melting point
135–136 °C
logP
1.40Crippen estimate
Polar surface area
83.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
32159-21-0
SMILES
O=C(O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
InChIKey
VHSFUGXCSGOKJX-JTQLQIEISA-N
InChI
InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(phenylmethyl) ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-benzyl ester, L-
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(phenylmethyl) ester, (S)-
  • N-Carbobenzoxypyroglutamic acid
  • (Benzyloxycarbonyl)-L-pyroglutamic acid
  • N-Benzyloxycarbonyl-L-pyroglutamic acid
  • Carbobenzoxy-L-pyroglutamic acid
  • L-(Phenylmethoxycarbonyl)pyroglutamic acid
  • N-Benzyloxycarbonylpyroglutamic acid
  • (2S)-5-Oxopyrrolidine-1,2-dicarboxylic acid 1-benzyl ester
  • (S)-1-(Benzyloxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid
  • (2S)-1-[(Benzyloxy)carbonyl]-5-oxopyrrolidine-2-carboxylic acid

Work with 1-(Phenylmethyl) (2S)-5-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

Similar compounds

(2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-864 % similar Benzyloxycarbonyl-L-proline1148-11-461 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-561 % similar 1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate113400-36-557 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-457 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-756 % similar 1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-356 % similar 1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-053 % similar

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

Same formula

(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-F]indolizine-3,6,10(4H)-trione110351-94-5 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-4 γ-Benzyl L-glutamate N-carboxyanhydride3190-71-4 N-Succinimidyl 3-(4-hydroxyphenyl)propionate34071-95-9

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