chempirical

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

Identifiers

CAS number
28874-51-3
SMILES
[O-]C(=O)[C@@H]1CCC(=O)N1.[Na+]
InChIKey
XCNILYKGVJTUMZ-DFWYDOINSA-N
InChI
InChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/t3-;/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-, 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

Similar compounds

Sodium N-lauroylglutamate29923-31-742 % similar Sodium stearoyl glutamate38517-23-642 % similar N-Myristoyl-L-glutamic acid sodium salt38517-37-242 % similar Sodium valproate1069-66-540 % similar Divalproex sodium76584-70-840 % similar Pentanedioic acid, 2-hydroxy-, sodium salt (1:2), (2R)-103404-90-639 % similar Sodium dichloroacetate2156-56-138 % similar Sodium tartrate868-18-838 % similar

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

Elsewhere

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