SDF/Mol File of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid (C10H19NO4)
Identification of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid Chemical Compound
![2D chemical structure image of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid](http://static.molinstincts.com/compound_common/R-2-R-1-Ethoxycarbonyl-butyl-amino-propionic-acid-2D-structure-CT1082634713.png)
| Chemical Formula | C10H19NO4 |
|---|---|
| Molecular Weight | 217.26216 g/mol |
| IUPAC Name | (2R)-2-{[(2R)-1-ethoxy-1-oxopentan-2-yl]amino}propanoic acid |
| SMILES String | CCCC(NC(C)C(O)=O)C(=O)OCC |
| InChI | InChI=1S/C10H19NO4/c1-4-6-8(10(14)15-5-2)11-7(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-/m1/s1 |
| InChIKey | AUVAVXHAOCLQBF-HTQZYQBOSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic 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 (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic 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.
![3D chemical structure image of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid](http://static.molinstincts.com/compound_3d/R-2-R-1-Ethoxycarbonyl-butyl-amino-propionic-acid-3D-structure-CT1082634713.png)
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Additional Information for Identifying (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid Molecule
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Chemical structure of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid is available in chemical structure page of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic 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 (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid
The molecular weight of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid is available in molecular weight page of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic 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 (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid
The chemical formula of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid is given in chemical formula page of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic 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 (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid is:
InChI=1S/C10H19NO4/c1-4-6-8(10(14)15-5-2)11-7(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-/m1/s1
It can provide a standard way to encode the molecular information of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic 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 (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid is:
InChIKey=AUVAVXHAOCLQBF-HTQZYQBOSA-N
The InChIKey may allow easier web searches for (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid, but it needs to be linked to the full InChI to get back to the original structure of the (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid
The (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid including the registry numbers are listed below, if available:
- (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid
(R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid formula? |
|---|
| C10H19NO4 |
| How many atoms and what elements are included in the (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid molecule? |
| 34 atom(s) - 19 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid structure? |
| 33 bond(s) - 14 non-H bond(s), 2 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 ester(s) (aliphatic), 1 secondary amine(s) (aliphatic), and 1 hydroxyl group(s) |
| What’s the (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid’s molar mass? |
| 217.26216 g/mol |
| What’s the SMILES structure of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid? |
| CCCC(NC(C)C(O)=O)C(=O)OCC |
| What’s the InChI code of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid? |
| InChI=1S/C10H19NO4/c1-4-6-8(10(14)15-5-2)11-7(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-/m1/s1 |
| What’s the InChIKey format of (R)-2-[[(R)-1-(Ethoxycarbonyl)butyl]amino]propionic acid? |
| AUVAVXHAOCLQBF-HTQZYQBOSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).