Ornithine α-ketoglutarate (1:1)

C10H18N2O7CAS 5191-97-9278.26 g/mol

Open in Covalent MOL file
H2NNH2OOHOHOOOOH
Carboxylic acidKetonePrimary amine

Properties

Molecular formula
C10H18N2O7
Molar mass
278.26 g/mol
Exact mass
278.1114 Da
logP
-1.36Crippen estimate
Polar surface area
181.0 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 4 ECHA notifiers. Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
5191-97-9
SMILES
NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O
InChIKey
SLPUVFBNQHVEEU-WCCKRBBISA-N
InChI
InChI=1S/C5H12N2O2.C5H6O5/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);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

4 names
  • L-Ornithine, 2-oxopentanedioate (1:1)
  • Glutaric acid, 2-oxo-, compd. with L-ornithine (1:1)
  • Pentanedioic acid, 2-oxo-, compd. with L-ornithine (1:1)
  • Ornithine oxoglurate

Work with Ornithine α-ketoglutarate (1:1)

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 Ornithine70-26-8Free base DL-ornithine hydrochloride1069-31-4Salt, stereo not defined Disodium α-ketoglutarate305-72-6Salt Ornithine aspartate3230-94-2Salt Ornithine hydrochloride3184-13-2Salt (R)-Ornithine hydrochloride16682-12-5Salt, enantiomer Diarginine α-ketoglutarate5256-76-8Salt Ornithine dihydrochloride6211-16-1Salt Potassium hydrogen α-ketoglutarate997-43-3Salt Calcium 2-oxoglutarate71686-01-6Salt Ornithine acetate60259-81-6Salt

Similar compounds

Lysine glutamate5408-52-667 % similar L-α-Aminoadipic acid1118-90-760 % similar Alpha-aminoadipic acid542-32-560 % similar D-α-Aminoadipic acid7620-28-260 % similar L-Lysine-L-aspartate27348-32-959 % similar 2-Aminopimelic acid627-76-959 % similar Polylysine25104-18-157 % similar L-Lysine56-87-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Piperazine citrate144-29-6 Hydroxyethylethylenediaminetriacetic acid150-39-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook