chempirical

Methyl pyroglutamate

C6H9NO3CAS 4931-66-2143.14 g/mol

Open in Covalent MOL file
OOOHN
Ester

Properties

Molecular formula
C6H9NO3
Molar mass
143.14 g/mol
Exact mass
143.0582 Da
Boiling point
127–130 °C (at 2 Torr)
logP
0.28Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
4931-66-2
SMILES
COC(=O)[C@@H]1CCC(O)=N1
InChIKey
HQGPKMSGXAUKHT-BYPYZUCNSA-N
InChI
InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1

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Names and synonyms

17 names · show all
  • L-Proline, 5-oxo-, methyl ester
  • Pyroglutamic acid, methyl ester, L-
  • (S)-5-(Methoxycarbonyl)-2-pyrrolidone
  • L-Pyroglutamic acid methyl ester
  • Methyl (S)-pyroglutamate
  • 5-Oxo-L-proline methyl ester
  • Methyl L-pyroglutamate
  • Pyroglutamic acid methyl ester
  • (S)-5-(Methoxycarbonyl)-2-pyrrolidinone
  • Methyl N-BOC-(S)-pyroglutamate
  • L-5-Oxoproline methyl ester
  • Methyl (S)-(+)-2-oxopyrrolidine-5-carboxylate
  • (2S)-5-Oxopyrrolidine-2-carboxylic acid methyl ester
  • Methyl (S)-2-oxopyrrolidine-5-carboxylate
  • (S)-Methyl 5-oxopyrrolidine-2-carboxylate
  • Methyl 5-oxo-L-proline
  • Methyl (2S)-5-oxopyrrolidine-2-carboxylate

Work with Methyl pyroglutamate

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

Methyl 5-oxopyrrolidine-2-carboxylate54571-66-3100 % similar L-Pyroglutamic acid ethyl ester7149-65-766 % similar 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-764 % similar Pyroglutamic acid149-87-155 % similar (+)-Pyroglutamic acid4042-36-855 % similar L-Pyroglutamic acid98-79-355 % similar 1,5-Dimethyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate59279-60-652 % similar Fasoracetam110958-19-549 % similar

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

Same formula

2-Methoxyethyl cyanoacetate10258-54-5 Trimethadione127-48-0 Valine N-carboxyanhydride24601-74-9 Methyl 2-acetamidoacrylate35356-70-8 6-Oxo-2-piperidinecarboxylic acid3770-22-7 1-Methyl-4-carboxy-2-pyrrolidone42346-68-9 Ethyl 3-isocyanatopropanoate5100-34-5 2-Oxo-1-pyrrolidineacetic acid53934-76-2

Elsewhere

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