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CHEBI:45265 - 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one
| Formula | C18H26N2O5 |
| Net Charge | 0 |
| Average Mass | 350.415 |
| Monoisotopic Mass | 350.18417 |
| SMILES | CCC(CC)Nc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO |
| InChI | InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25) |
| InChIKey | BNIJJJRESBVRNB-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45265) has functional parent benzoic acid (CHEBI:30746) |
| 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45265) is a benzoic acids (CHEBI:22723) |
| 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45265) is a primary alcohol (CHEBI:15734) |
| 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45265) is a pyrrolidin-2-ones (CHEBI:74223) |
| 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45265) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid |
| Synonym | Source |
|---|---|
| 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE | PDBeChem |