| CAS Number | 1239841-29-2 |
| Catalog Number | AG01A4T4 |
| Chemical Name | 1-cyclopropyl-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-cyclopropyl-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C15H17NO4/c1-20-11-4-2-3-9(7-11)14-12(15(18)19)8-13(17)16(14)10-5-6-10/h2-4,7,10,12,14H,5-6,8H2,1H3,(H,18,19) |
| InChI Key | CLJPQWVXKXAHGQ-UHFFFAOYSA-N |
| MDL Number | MFCD07379757 |
| Molecular Formula | C15H17NO4 |
| Molecular Weight | 275.2998 |
| SMILES | COC1=CC(C2N(C3CC3)C(=O)CC2C(O)=O)=CC=C1 |
| Synonyms | 1-cyclopropyl-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid,
1239841-29-2,
STL468940,
AKOS012685431,
MCULE-4698313879,
NE28964,
Z1601554636,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.304g/mol |
| Monoisotopic Mass | 275.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number