| Canonical Smiles | CC1CSCC(N1)C(=O)O |
|---|---|
| IUPAC Name | 5-methylthiomorpholine-3-carboxylic acid |
| InChIKey | OGAZLBFLUHPSRJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H11NO2S/c1-4-2-10-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9) |
| Molecular Weight | 161.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acids |
| Alternative Parents | Thiomorpholine carboxylic acids and derivatives Amino acids Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid - Thiomorpholine-3-carboxylic acid - 1,4-thiazinane - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
| External Descriptors | Not available |
| Molecular Weight | 161.220 g/mol |
|---|---|
| XLogP3 | -2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 161.051 Da |
| Monoisotopic Mass | 161.051 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
