| CAS Number | 1513302-54-9 |
| Catalog Number | AG01BAWG |
| Chemical Name | 5-oxo-3-(propan-2-yl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C8H13NO3/c1-5(2)8(7(11)12)3-6(10)9-4-8/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12) |
| InChI Key | WIFHVMCJQJLZNM-UHFFFAOYSA-N |
| MDL Number | MFCD26599462 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | CC(C1(C(O)=O)CC(=O)NC1)C |
| Synonyms | 5-oxo-3-(propan-2-yl)pyrrolidine-3-carboxylic acid,
1513302-54-9,
AKOS023253361,
Z2177030625,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number