Structure & Deep Data of Creatine (C4H9N3O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The creatine molecule contains a total of 17 bond(s). There are 8 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 guanidine derivative(s), 1 primary amine(s) (aliphatic), 1 tertiary amine(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of creatine are given below:

The 2D chemical structure image of creatine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of creatine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of creatine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of creatine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Creatine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of creatine

  The SMILES string of creatine is CN(CC(O)=O)C(N)=N, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the creatine.

• Structure Data File (SDF/MOL File) of creatine

  The structure data file (SDF/MOL File) of creatine is available for download in the SDF page of creatine, which provides the information about the atoms, bonds, connectivity and coordinates of creatine. The creatine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of creatine

  The molecular formula of creatine is available in chemical formula page of creatine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of creatine

  The molecular weight of creatine is available in molecular weight page of creatine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of creatine

  The creatine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of creatine including the various registry numbers, if available:

  • F8880-7830
  • I14-7700
  • [[Amino(imino)methyl](methyl)amino]acetic acid #
  • H6237
  • Creatine, anhydrous, >=99.0% (NT)
  • RTR-019943
  • N-[amino(imino)methyl]-N-methylglycine
  • BDBM50357229
  • MU72812GK0
  • HMDB00064

  • C4H11N3O3
  • 2-(Methylguanidino)ethanoic acid
  • GTPL4496
  • Creatine, hydrate (Salt/Mix)
  • (alpha-Methylguanido)acetate
  • bmse000999
  • bmse000950
  • bmse000078
  • Methylguanidoacetate
  • [[Amino(imino)methyl](methyl)amino]acetic acid

  • [[Amino(imino)methyl](methyl)amino]acetate
  • ((amino(imino)methyl)(methyl)amino)acetate
  • 2-(amidinomethylamino)acetic acid
  • W-105270
  • ((amino(imino)methyl)(methyl)amino)acetic acid
  • 2-[carbamimidoyl(methyl)amino]acetic acid
  • N-(Aminoiminomethyl)-N-methyl-glycine
  • MFCD00004282
  • N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE
  • (N-methylcarbamimidamido)acetic acid

  • (.alpha.-Methylguanido)acetic acid
  • N-(aminoiminomethyl)-N-methylglycine
  • Cosmocair C 100
  • Creatine, anhydrous
  • alpha-Methylguanidino acetic acid
  • N-carbamimidoyl-N-methylglycine
  • Phosphagen
  • Creatine (8CI)
  • Creatine anhydrous
  • Methylguanidoacetic acid

  • Glycine, N-(aminoiminomethyl)-N-methyl-
  • 2-(1-Methylguanidino)acetic acid
  • Pyrolysate
  • (alpha-Methylguanido)acetic acid
  • Creatine, hydrate
  • methylglycocyamine
  • N-amidinosarcosine
  • N-methyl-N-guanylglycine
  • Krebiozon
  • Kreatin

  • Creatin
  • 57-00-1
  • creatine
  • (a-Methylguanido)acetic acid

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Creatine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of creatine?
C4H9N3O2
How many atoms and what are the elements included the creatine molecule?
18 atom(s) - 9 Hydrogen atom(s), 4 Carbon atom(s), 3 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the creatine structure?
17 bond(s) - 8 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 guanidine derivative(s), 1 primary amine(s) (aliphatic), 1 tertiary amine(s) (aliphatic), and 1 hydroxyl group(s)
What’s the creatine’s molecular weight?
131.13316 g/mol
What’s the SMILES code of creatine?
CN(CC(O)=O)C(N)=N
What’s the InChI string of creatine?
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
What’s the InChIKey code of creatine?
CVSVTCORWBXHQV-UHFFFAOYSA-N

9171 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).