| Canonical Smiles | C1=C(OC(=C1)C(=O)O)CN |
|---|---|
| IUPAC Name | 5-(aminomethyl)furan-2-carboxylic acid |
| InChIKey | FUHVYJBSPHDDNU-UHFFFAOYSA-N |
| INCHI | 1S/C6H7NO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H,8,9) |
| Isomeric SMILES | C1=C(OC(=C1)C(=O)O)CN |
| PubChem CID | 3129797 |
| Molecular Weight | 141.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Furanoid amino acids and derivatives |
| Alternative Parents | Furoic acids Aralkylamines Heteroaromatic compounds Amino acids Oxacyclic compounds Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furanoid amino acid - Furoic acid or derivatives - Furoic acid - Aralkylamine - Heteroaromatic compound - Furan - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Amine - Primary aliphatic amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring. |
| External Descriptors | Not available |
| Molecular Weight | 141.120 g/mol |
|---|---|
| XLogP3 | -2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 141.043 Da |
| Monoisotopic Mass | 141.043 Da |
| Topological Polar Surface Area | 76.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 137.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
