| Canonical Smiles | C1CC(=O)NC1CN.C(=O)(C(=O)O)O |
|---|---|
| IUPAC Name | 5-(aminomethyl)pyrrolidin-2-one;oxalic acid |
| InChIKey | UBTSELAHPNEMDE-UHFFFAOYSA-N |
| INCHI | 1S/C5H10N2O.C2H2O4/c6-3-4-1-2-5(8)7-4;3-1(4)2(5)6/h4H,1-3,6H2,(H,7,8);(H,3,4)(H,5,6) |
| Molecular Weight | 204.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dicarboxylic acids and derivatives |
| Alternative Parents | Pyrrolidine-2-ones Secondary carboxylic acid amides Lactams Amino acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Dicarboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
| External Descriptors | Not available |
| Molecular Weight | 204.180 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 204.075 Da |
| Monoisotopic Mass | 204.075 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
