chempirical

L-Pyroglutamic acid ethyl ester

C7H11NO3CAS 7149-65-7157.17 g/mol

Open in Covalent MOL file
OOOHN
Ester

Properties

Molecular formula
C7H11NO3
Molar mass
157.17 g/mol
Exact mass
157.0739 Da
Melting point
55 °C
Boiling point
140–145 °C (at 1 Torr)
logP
0.67Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
7149-65-7
SMILES
CCOC(=O)[C@@H]1CCC(O)=N1
InChIKey
QYJOOVQLTTVTJY-YFKPBYRVSA-N
InChI
InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • L-Proline, 5-oxo-, ethyl ester
  • Proline, 5-oxo-, ethyl ester, L-
  • Ethyl pyroglutamate
  • Ethyl L-pyroglutamate
  • L-2-Ethoxycarbonyl-5-pyrrolidone
  • Ethyl L-2-oxo-5-pyrrolidinecarboxylate
  • Ethyl L-2-pyrrolidone-5-carboxylate
  • Ethyl (S)-pyroglutamate
  • Pyroglutamic acid ethyl ester
  • NSC 166529
  • NSC 72279
  • Ethyl (2S)-5-oxopyrrolidine-2-carboxylate
  • (S)-(+)-Ethyl 2-pyrrolidone-5-carboxylate
  • Ethyl 5-oxo-L-prolinate
  • (2S)-5-Oxopyrrolidine-2-carboxylic acid ethyl ester
  • (S)-Ethyl 5-oxopyrrolidine-2-carboxylate

Work with L-Pyroglutamic acid ethyl ester

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.

Ethyl D-(-)-pyroglutamate68766-96-1Enantiomer

Similar compounds

Methyl pyroglutamate4931-66-266 % similar Methyl 5-oxopyrrolidine-2-carboxylate54571-66-366 % similar 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-761 % similar Ethyl-Nalpha-lauroyl-L-arginate hydrochloride60372-77-252 % similar Pyroglutamic acid149-87-151 % similar (+)-Pyroglutamic acid4042-36-851 % similar L-Pyroglutamic acid98-79-351 % similar Diethyl acetamidomalonate1068-90-249 % similar

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

Same formula

Ac-dl-pro-oh1074-79-9 Ethyl (3R)-4-cyano-3-hydroxybutanoate141942-85-0 1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-2 Butyl 2-isocyanatoacetate17046-22-9 Ethyl (3S)-4-cyano-3-hydroxybutanoate312745-91-8 2-Ethoxyethyl 2-cyanoacetate32804-77-6 Ethyl 2-oxopyrrolidine-3-carboxylate36821-26-8 Methyl 2-oxo-1-pyrrolidineacetate59776-88-4

Elsewhere

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