| CAS Number | 1155632-03-3 |
| Catalog Number | AG018GXW(AGN-PC-0WBQ82) |
| Chemical Name | 5-Oxo-1-(tetrahydro-2H-pyran-4-yl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C10H15NO4/c12-9-5-7(10(13)14)6-11(9)8-1-3-15-4-2-8/h7-8H,1-6H2,(H,13,14) |
| InChI Key | ZUHJEZHRBQNNKR-UHFFFAOYSA-N |
| MDL Number | MFCD12088286 |
| Molecular Formula | C10H15NO4 |
| Molecular Weight | 213.2304 |
| SMILES | C1COCCC1N2CC(CC2=O)C(=O)O |
| Synonyms | 1155632-03-3,
5-oxo-1-(tetrahydro-2H-pyran-4-yl)pyrrolidine-3-carboxylic acid,
1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid,
DTXSID30656236,
AKOS009623546,
MCULE-4023382083,
VU0494794-1,
L-4207,
F2147-1125,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.233g/mol |
| Monoisotopic Mass | 213.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number