Ornithine acetate

C7H16N2O4CAS 60259-81-6192.22 g/mol

Open in Covalent MOL file
OOHH2NNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H16N2O4
Molar mass
192.22 g/mol
Exact mass
192.1110 Da
logP
-0.77Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
60259-81-6
SMILES
CC(=O)O.NCCC[C@H](N)C(=O)O
InChIKey
PHEDTXJYYFZENX-WCCKRBBISA-N
InChI
InChI=1S/C5H12N2O2.C2H4O2/c6-3-1-2-4(7)5(8)9;1-2(3)4/h4H,1-3,6-7H2,(H,8,9);1H3,(H,3,4)/t4-;/m0./s1

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Names and synonyms

2 names
  • L-Ornithine, acetate (1:1)
  • L-Ornithine, monoacetate

Work with Ornithine acetate

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.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Ornithine70-26-8Free base Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt

Similar compounds

Polylysine25104-18-170 % similar L-Lysine56-87-170 % similar Lysine70-54-270 % similar D-Lysine923-27-370 % similar Lysine monohydrate39665-12-866 % similar Lysine hydrochloride10098-89-264 % similar Poly(L-lysine) hydrobromide25988-63-064 % similar Poly-D-lysine hydrobromide27964-99-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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