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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

18 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
  • Methyl 5-oxo-L-prolinate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl 5-oxopyrrolidine-2-carboxylate54571-66-3Stereo not defined

Similar compounds

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 Dimethyl N-(tert-Butoxycarbonyl)-L-glutamate59279-60-652 % similar Fasoracetam110958-19-549 % similar N-Acetyl-3-chloro-L-alanine methyl ester18635-38-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxyethyl cyanoacetate10258-54-5 Trimethadione127-48-0 N-[2-Hydroxyethyl]succinimide18190-44-8 N-Methacryloylglycine23578-45-2 Valine N-carboxyanhydride24601-74-9 (S)-6-Oxo-2-piperidinecarboxylic acid34622-39-4 5-Oxo-pyrrolidine-3-carboxylic acid methyl ester35309-35-4 Methyl 2-acetamidoacrylate35356-70-8

Elsewhere

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