chempirical

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

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

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

Similar compounds

L-Lysine acetate57282-49-291 % similar Ornithine70-26-877 % similar 2,5-Diaminopentanoic acid hydrochloride1069-31-471 % similar (R)-Ornithine hydrochloride16682-12-571 % similar Ornithine hydrochloride3184-13-271 % similar Ornithine dihydrochloride6211-16-171 % similar Polylysine25104-18-170 % similar L-Lysine56-87-170 % similar

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

Elsewhere

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