Creatine pyruvate

C7H13N3O5CAS 55965-97-4219.20 g/mol

Open in Covalent MOL file
OOOHNOOHNHH2N
Carboxylic acidGuanidineKetone

Properties

Molecular formula
C7H13N3O5
Molar mass
219.20 g/mol
Exact mass
219.0855 Da
logP
-1.44Crippen estimate
Polar surface area
144.8 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 607-595-00-1), via PubChem.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
55965-97-4
SMILES
CC(=O)C(=O)O.CN(CC(=O)O)C(=N)N
InChIKey
DLNGCCQFGNSBOP-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N3O2.C3H4O3/c1-7(4(5)6)2-3(8)9;1-2(4)3(5)6/h2H2,1H3,(H3,5,6)(H,8,9);1H3,(H,5,6)

Weigh it out

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

Work with Creatine pyruvate

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.

Creatine monohydrate6020-87-7Hydrate Pyruvic acid127-17-3Free acid Creatine57-00-1Free base Sodium pyruvate113-24-6Salt Potassium pyruvate4151-33-1Salt Lithium pyruvate2922-61-4Salt Calcium pyruvate52009-14-0Salt Magnesium pyruvate81686-75-1Salt Creatine hcl17050-09-8Salt Creatine nitrate89695-59-0Salt

Similar compounds

Glycylsarcosine29816-01-142 % similar Phosphocreatine67-07-240 % similar Lauroylsarcosine97-78-938 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-636 % similar Dimethylglycine1118-68-936 % similar Methyliminodiacetic acid4408-64-436 % similar Creatinol sulfate50648-53-835 % similar Creatinolfosfate6903-79-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook