| CAS Number | 1342361-74-3 |
| Catalog Number | AG019TKZ(AGN-PC-0WO3U6) |
| Chemical Name | 1-Acetyl-3-methylpyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-acetyl-3-methylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C8H13NO3/c1-6(10)9-4-3-8(2,5-9)7(11)12/h3-5H2,1-2H3,(H,11,12) |
| InChI Key | NGPONDCWRZQZES-UHFFFAOYSA-N |
| MDL Number | MFCD18274755 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | CC(N1CC(C(O)=O)(C)CC1)=O |
| Synonyms | 1-acetyl-3-methylpyrrolidine-3-carboxylic acid,
1342361-74-3,
AKOS012444156,
MCULE-2092687521,
NE56880,
Z1318516260,
|
| Complexity | 226 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number