SDF/Mol File of Hydantoic acid (C3H6N2O3)
Identification of Hydantoic acid Chemical Compound
| Chemical Formula | C3H6N2O3 |
|---|---|
| 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Hydantoic acid is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Hydantoic acid molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
chemical table area
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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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Chemical structure of Hydantoic acid
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Hydantoic acid is available in chemical structure page of Hydantoic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Hydantoic acid
The chemical formula of Hydantoic acid is given 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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InChI (IUPAC International Chemical Identifier) information of Hydantoic acid
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Hydantoic acid is:
InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
It can provide a standard way to encode the molecular information of Hydantoic acid to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Hydantoic acid is:
InChIKey=KZVRXPPUJQRGFN-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Hydantoic acid, but it needs to be linked to the full InChI to get back to the original structure of the Hydantoic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Hydantoic acid
The Hydantoic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Hydantoic acid including the registry numbers are listed below, 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 Hydantoic acid formula? |
|---|
| C3H6N2O3 |
| How many atoms and what elements are included in 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 in 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 molar mass? |
| 118.09134 g/mol |
| What’s the SMILES structure of Hydantoic acid? |
| NC(=O)NCC(O)=O |
| What’s the InChI code 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 format of Hydantoic acid? |
| KZVRXPPUJQRGFN-UHFFFAOYSA-N |
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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).