L-Arginine L-pyroglutamate

C11H21N5O5CAS 56265-06-6303.32 g/mol

Open in Covalent MOL file
NHH2NNHNH2OOHOHOOHN
Carboxylic acidGuanidinePrimary amine

Properties

Molecular formula
C11H21N5O5
Molar mass
303.32 g/mol
Exact mass
303.1543 Da
logP
-1.15Crippen estimate
Polar surface area
195.1 Ų
H-bond donors / acceptors
7 / 5
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
56265-06-6
SMILES
N=C(N)NCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCC(O)=N1
InChIKey
UYCAGRPOUWSBIQ-WOYAITHZSA-N
InChI
InChI=1S/C6H14N4O2.C5H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H2,(H,6,7)(H,8,9)/t4-;3-/m00/s1

Weigh it out

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

Names and synonyms

4 names
  • L-Proline, 5-oxo-, compd. with L-arginine (1:1)
  • L-Arginine, compd. with 5-oxo-L-proline (1:1)
  • Arginine pyroglutamate
  • Arginine PCA

Work with L-Arginine L-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 acid98-79-3Parent compound Arginine74-79-3Parent compound Pyroglutamic acid149-87-1Parent compound, stereo not defined (+)-Pyroglutamic acid4042-36-8Parent compound, enantiomer (±)-Arginine7200-25-1Parent compound, stereo not defined D-Arginine157-06-2Parent compound, enantiomer Arginine glutamate4320-30-3Salt Zinc PCA15454-75-8Salt, stereo not defined L-(+)-Arginine monohydrochloride1119-34-2Salt Sodium pyroglutamate28874-51-3Salt Aspirin arginine salt37466-21-0Salt D-Arginine hydrochloride627-75-8Salt, enantiomer

Similar compounds

Homoarginine156-86-567 % similar L-Homoarginine hydrochloride1483-01-863 % similar Arginylglycylaspartic acid99896-85-263 % similar N-Acetyl-L-arginine155-84-060 % similar Citrulline372-75-859 % similar Citrulline627-77-059 % similar Benzoyl-L-arginine154-92-754 % similar Homocitrulline1190-49-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia