| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCO[C@H](C1)CC=O |
|---|---|
| IUPAC Name | tert-butyl (2S)-2-(2-oxoethyl)morpholine-4-carboxylate |
| InChIKey | XEPDBSLMMIBFBX-VIFPVBQESA-N |
| INCHI | 1S/C11H19NO4/c1-11(2,3)16-10(14)12-5-7-15-9(8-12)4-6-13/h6,9H,4-5,7-8H2,1-3H3/t9-/m0/s1 |
| Peso molecular | 229.270 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Morpholine carboxylic acids and derivatives |
| Direct Parent | Morpholine carboxylic acids |
| Alternative Parents | Carbamate esters Alpha-hydrogen aldehydes Tertiary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Morpholine-4-carboxylic acid - Alpha-hydrogen aldehyde - Carbamic acid ester - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Aldehyde - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Peso molecular | 229.270 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 229.131 Da |
| Monoisotopic Mass | 229.131 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
