chempirical

Pyroglutamic acid

C5H7NO3CAS 149-87-1129.12 g/mol

Open in Covalent MOL file
OHOOHN
Carboxylic acid

Properties

Molecular formula
C5H7NO3
Molar mass
129.12 g/mol
Exact mass
129.0426 Da
Melting point
181–183 °C
logP
0.19Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
149-87-1
SMILES
O=C(O)C1CCC(O)=N1
InChIKey
ODHCTXKNWHHXJC-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)

Weigh it out

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

Names and synonyms

15 names · show all
  • Proline, 5-oxo-
  • Proline, 5-oxo-, DL-
  • DL-Proline, 5-oxo-
  • 5-Oxoproline
  • DL-Pyrrolidonecarboxylic acid
  • DL-Pyroglutamate
  • 5-Oxo-DL-proline
  • (±)-Pyroglutamic acid
  • DL-Pyroglutamic acid
  • DL-2-Pyrrolidinone-5-carboxylic acid
  • DL-2-Pyrrolidone-5-carboxylic acid
  • (±)-2-Pyrrolidone-5-carboxylic acid
  • 5-Oxopyrrolidine-2-carboxylic acid
  • NSC 40887
  • Pyrrolidone carboxylic acid

Work with Pyroglutamic acid

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.

L-Pyroglutamic acid98-79-3Defined stereoisomer (+)-Pyroglutamic acid4042-36-8Defined stereoisomer L-Arginine L-pyroglutamate56265-06-6Salt, defined stereoisomer Zinc PCA15454-75-8Salt Sodium pyroglutamate28874-51-3Salt, defined stereoisomer Metadoxine74536-44-0Salt, defined stereoisomer N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5-oxopyrrolidine-2-carboxylic acid192726-06-0Salt, defined stereoisomer

Similar compounds

6-Oxopiperidine-2-carboxylic acid3770-22-778 % similar Glycyl-L-glutamic acid7412-78-462 % similar Glycyl-L-glutamine13115-71-458 % similar Methyl pyroglutamate4931-66-255 % similar Methyl 5-oxopyrrolidine-2-carboxylate54571-66-355 % similar Alpha-guanidinoglutaric acid73477-53-953 % similar Pidotimod121808-62-653 % similar Fasoracetam110958-19-551 % similar

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

Same formula

4-Acetoxy-2-azetidinone28562-53-0 Ethyl isocyanatoacetate2949-22-6 2-Acetamidoacrylic acid5429-56-1 Dimethadione695-53-4

Elsewhere

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