Sodium pyroglutamate

C5H6NNaO3CAS 28874-51-3151.10 g/mol

Open in Covalent MOL file
O−OOHNNa+
Carboxylic acid

Properties

Molecular formula
C5H6NNaO3
Molar mass
151.10 g/mol
Exact mass
151.0245 Da
Melting point
42 °C
logP
-0.19Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
28874-51-3
SMILES
[O-]C(=O)[C@@H]1CCC(=O)N1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

18 names · show all
  • L-Proline, 5-oxo-, sodium salt (1:1)
  • Proline, 5-oxo-, monosodium salt, L-
  • L-Proline, 5-oxo-, monosodium salt
  • 2-Pyrrolidinone-5-carboxylic acid sodium salt
  • Sodium 2-pyrrolidinone-5-carboxylate
  • Sodium 2-oxo-5-pyrrolidinecarboxylate
  • 5-Carboxy-2-pyrrolidone sodium salt
  • Sodium 2-pyrrolidone-5-carboxylate
  • Sodium L-pyroglutamate
  • 2-Pyrrolidone-5-carboxylic acid sodium salt
  • Sodium pyrrolidone-5-carboxylate
  • Sodium L-pyrrolidonecarboxylate
  • Sodium pidolate
  • Ajidew NL 50
  • PDSI 101
  • Prodew 300
  • Monosodium L-pyroglutamate
  • NL 50

Work with Sodium 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.

L-Pyroglutamic acid98-79-3Free acid Pyroglutamic acid149-87-1Free acid, stereo not defined (+)-Pyroglutamic acid4042-36-8Free acid, enantiomer L-Arginine L-pyroglutamate56265-06-6Salt Zinc PCA15454-75-8Salt, stereo not defined Metadoxine74536-44-0Salt 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

Similar compounds

Ethyl D-(-)-pyroglutamate68766-96-142 % similar Sodium N-lauroylglutamate29923-31-742 % similar Sodium stearoyl glutamate38517-23-642 % similar N-Myristoyl-L-glutamic acid sodium salt38517-37-242 % similar tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-541 % similar Sodium valproate1069-66-540 % similar Pentanedioic acid, 2-hydroxy-, sodium salt (1:2), (2R)-103404-90-639 % similar (S)-6-Oxo-2-piperidinecarboxylic acid34622-39-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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