Structure & Deep Data of Hydantoic acid (C3H6N2O3)
Identification of Hydantoic acid Chemical Compound
Chemical Formula | C3H6N2O3 |
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Molecular Weight | 118.09134 g/mol |
IUPAC Name | 2-(carbamoylamino)acetic acid |
SMILES String | NC(=O)NCC(O)=O |
InChI | InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8) |
InChIKey | KZVRXPPUJQRGFN-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Hydantoic acid molecule contains a total of 13 bond(s). There are 7 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 urea (-thio) derivative(s), and 1 hydroxyl group(s). Images of the chemical structure of Hydantoic acid are given below:
The 2D chemical structure image of Hydantoic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Hydantoic acid 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 Hydantoic acid 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 Hydantoic acid. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Hydantoic acid is provided here.
The Hydantoic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Hydantoic acid molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Hydantoic acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Hydantoic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Hydantoic acid
The SMILES string of Hydantoic acid is NC(=O)NCC(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Hydantoic acid.
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Structure Data File (SDF/MOL File) of Hydantoic acid
The structure data file (SDF/MOL File) of Hydantoic acid is available for download in the SDF page of Hydantoic acid, which provides the information about the atoms, bonds, connectivity and coordinates of Hydantoic acid. The Hydantoic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Hydantoic acid
The molecular formula of Hydantoic acid is available in chemical formula page of Hydantoic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Hydantoic acid
The molecular weight of Hydantoic acid is available in molecular weight page of Hydantoic acid, 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.
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Other names (synonyms) or registry numbers of Hydantoic acid
The Hydantoic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Hydantoic acid including the various registry numbers, if available:
- T5267642
- C-50338
- BBV-156818
- Z57009586
- L-Tyrosine,N-(aminocarbonyl)-3-methoxy-O,a-dimethyl-
- I14-57969
- AB00981907-01
- EN300-10397
- MFCD00047876
- ANW-30424
- 7046AF
- Q4F314U63K
- N-Carboxymethylurea
- Acetic acid, [(aminocarbonyl)amino]-
- Glycine, N-carbamoyl- (7CI,8CI)
- [(aminocarbonyl)amino]acetic acid
- N-(AMINOCARBONYL)GLYCINE
- CB 1636
- Glycine, N-carbamoyl-
- 2-Ureidoacetic acid
- Acetic acid, ((aminocarbonyl)amino)-
- ureidoacetic acid
- Carbomoylglycine
- Urea, (carboxymethyl)-
- Acetic acid, ureido-
- Glycine, N-(aminocarbonyl)-
- N-Carbamylglycine
- Glycoluric acid
- Carbamoylglycine
- 462-60-2
- N-Carbamoylglycine
- Hydantoic acid
Hydantoic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Hydantoic acid? |
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C3H6N2O3 |
How many atoms and what are the elements included the Hydantoic acid molecule? |
14 atom(s) - 6 Hydrogen atom(s), 3 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Hydantoic acid structure? |
13 bond(s) - 7 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 urea (-thio) derivative(s), and 1 hydroxyl group(s) |
What’s the Hydantoic acid’s molecular weight? |
118.09134 g/mol |
What’s the SMILES code of Hydantoic acid? |
NC(=O)NCC(O)=O |
What’s the InChI string of Hydantoic acid? |
InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8) |
What’s the InChIKey code of Hydantoic acid? |
KZVRXPPUJQRGFN-UHFFFAOYSA-N |
1415
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).