chempirical

Arginine α-oxoglutarate

C11H20N4O7CAS 16856-18-1320.30 g/mol

Open in Covalent MOL file
NHH2NNHNH2OOHOHOOOOH
Carboxylic acidGuanidineKetonePrimary amine

Properties

Molecular formula
C11H20N4O7
Molar mass
320.30 g/mol
Exact mass
320.1332 Da
logP
-1.83Crippen estimate
Polar surface area
216.9 Ų
H-bond donors / acceptors
7 / 6
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 5 ECHA notifiers. Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
16856-18-1
SMILES
N=C(N)NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O
InChIKey
PGRNZHOQVAPMFX-WCCKRBBISA-N
InChI
InChI=1S/C6H14N4O2.C5H6O5/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H2,(H,7,8)(H,9,10)/t4-;/m0./s1

Weigh it out

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

Names and synonyms

7 names
  • L-Arginine, 2-oxopentanedioate (1:1)
  • Glutaric acid, 2-oxo-, compd. with L-arginine (1:1)
  • Arginine, 2-oxoglutarate (1:1), L-
  • Pentanedioic acid, 2-oxo-, compd. with L-arginine (1:1)
  • Argiceto-50
  • Glutaric acid, 2-oxo-, compd. with arginine
  • Arginine oxoglurate

Work with Arginine α-oxoglutarate

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.

α-Ketoglutaric acid328-50-7Free acid Arginine74-79-3Free base (±)-Arginine7200-25-1Free base, stereo not defined D-Arginine157-06-2Free base, enantiomer L-Arginine L-pyroglutamate56265-06-6Salt L-(+)-Arginine monohydrochloride1119-34-2Salt Arginine glutamate4320-30-3Salt Disodium α-ketoglutarate305-72-6Salt Arginine hydrochloride15595-35-4Salt D-Arginine hydrochloride627-75-8Salt, enantiomer Di-L(+)-ornithine-α-oxoglutarate5144-42-3Salt Potassium hydrogen α-ketoglutarate997-43-3Salt

Similar compounds

Homoarginine156-86-566 % similar L-Homoarginine hydrochloride1483-01-862 % similar Citrulline372-75-857 % similar Citrulline627-77-057 % similar Homocitrulline1190-49-453 % similar Nomega-Propyl-L-arginine137361-05-853 % similar L-α-Aminoadipic acid1118-90-751 % similar Alpha-aminoadipic acid542-32-551 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook