Ornithine α-ketoglutarate (1:1)

C₁₀H₁₈N₂O₇CAS 5191-97-9278.26 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone Primary 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 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

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

3 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)

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

Similar compounds

Lysine glutamate5408-52-667 % similar Arginine α-oxoglutarate16856-18-166 % similar Diarginine α-ketoglutarate5256-76-866 % similar Ornithine aspartate3230-94-264 % similar Ornithine70-26-863 % similar L-α-Aminoadipic acid1118-90-760 % similar α-Aminoadipate pathway542-32-560 % similar D-α-Aminoadipic acid7620-28-260 % similar

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

Same formula

Piperazine citrate144-29-6 Hydroxyethylethylenediaminetriacetic acid150-39-0 Di-L(+)-ornithine-α-oxoglutarate5144-42-3

Elsewhere

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