3-Isopropyl-1H-pyrrole-2,5-dione; N-(2-Carboxyethyl)
AlkaPlorer ID: AK039341
Synonym: 3-(3-Isopropyl-2,5-dioxo-1H-pyrrol-1-yl)propanoic acid, Farinomalein A
IUPAC Name: 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)propanoic acid
Structure
SMILES: CC(C)C1=CC(=O)N(CCC(=O)O)C1=O
InChI: InChI=1S/C10H13NO4/c1-6(2)7-5-8(12)11(10(7)15)4-3-9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKey: UWAZSQUZHSRNTR-UHFFFAOYSA-N
Reference
PubChem CID: 44254797
CAS: 1175521-35-3
LOTUS: LTS0154897
SuperNatural Ⅲ: SN0381657
NPASS: NPC90782
COCONUT: CNP0220751
{NPAtlas: NPA001962
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Paecilomyces | Thermoascaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 211.217
TPSA？: 74.68
MolLogP？: 0.4123
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Phytophthora sojae | Phytophthora sojae | MIC | 5.0 | ug | 10.1021/np9002806 |