Zinc PCA

C10H12N2O6ZnCAS 15454-75-8321.59 g/mol

Open in Covalent MOL file
OHOOHNOO−O−NZn2+
Carboxylic acidImine

Properties

Molecular formula
C10H12N2O6Zn
Molar mass
321.59 g/mol
Exact mass
319.9987 Da
logP
-2.16Crippen estimate
Polar surface area
145.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Hazards

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

Search the SDS library

Identifiers

CAS number
15454-75-8
SMILES
O=C(O)C1CCC(O)=N1.O=C([O-])C1CCC([O-])=N1.[Zn+2]
InChIKey
OWVLYQRCCIEOPF-UHFFFAOYSA-L
InChI
InChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2

Weigh it out

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

Names and synonyms

14 names · show all
  • Zinc, bis(5-oxo-L-prolinato-κN1,κO2)-, (T-4)-
  • Zinc, bis(5-oxo-L-prolinato)-
  • Zinc, bis(5-oxo-L-prolinato-N1,O2)-, (T-4)-
  • Zinc, bis(5-oxoprolinato)-
  • L-Proline, 5-oxo-, zinc complex
  • (T-4)-Bis(5-oxo-L-prolinato-κN1,κO2)zinc
  • Proline, 5-oxo-, zinc salt (2:1), L-
  • L-Proline, 5-oxo-, zinc salt (2:1)
  • Zinc L-pyroglutamate
  • Zinc pidolate
  • Zinc pyroglutamate
  • Zincidone
  • Zinc pyrrolidonecarboxylate
  • Ajidew ZN 100

Work with Zinc PCA

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, defined stereoisomer Pyroglutamic acid149-87-1Free acid (+)-Pyroglutamic acid4042-36-8Free acid, defined stereoisomer L-Arginine L-pyroglutamate56265-06-6Salt, defined stereoisomer 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 acid3770-22-750 % similar Glycyl-L-glutamic acid7412-78-443 % similar Glycyl-L-glutamine13115-71-441 % similar Pidotimod121808-62-638 % similar Methyl pyroglutamate4931-66-238 % similar Methyl 5-oxopyrrolidine-2-carboxylate54571-66-338 % similar Phenylacetylglutamine28047-15-637 % similar Alpha-guanidinoglutaric acid73477-53-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook