| Canonical Smiles | CCOC(=O)[C@H]1COCC[C@H]1N |
|---|---|
| IUPAC Name | ethyl (3R,4R)-4-aminooxane-3-carboxylate |
| InChIKey | WMJOASBTWYDSDT-NKWVEPMBSA-N |
| INCHI | 1S/C8H15NO3/c1-2-12-8(10)6-5-11-4-3-7(6)9/h6-7H,2-5,9H2,1H3/t6-,7+/m0/s1 |
| Molecular Weight | 173.210 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Sugar acids and derivatives - Sugar amino acids and derivatives |
| Direct Parent | Pyranoid amino acids and derivatives |
| Alternative Parents | Beta amino acids and derivatives Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyranoid amino acid - Beta amino acid or derivatives - Oxane - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Carbonyl group - Primary amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities. |
| External Descriptors | Not available |
| Molecular Weight | 173.210 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 173.105 Da |
| Monoisotopic Mass | 173.105 Da |
| Topological Polar Surface Area | 61.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
