| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 15 | Yes |
Popular Name: 5-oxo-1-phenylpyrrolidine-3-carboxylic acid 5-oxo-1-phenylpyrrolidine-3-carb…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39629-86-2 , [39629-86-2]
1-Phenyl-2-pyrrolidinone-4-carboxylic acid
2-Oxo-1-phenylpyrrolidine-4-carboxylic acid
3-pyrrolidinecarboxylic acid, 5-oxo-1-phenyl-
5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid
5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid
5-oxo-1-phenyl-pyrrolidine-3-carboxylicacid
N-Phenylpyrrolidin-2-one-4-carboxylic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.65 | 5.22 | -43.26 | 0 | 4 | -1 | 60 | 204.205 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.65 | 4.09 | -12.63 | 1 | 4 | 0 | 58 | 205.213 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 189-190° | Matrix Scientific |
| MP | 191 - 193 | Enamine Building Blocks |
| MP | 191...193 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0047119A1; US4296120; US4343813 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
