| CAS Number | 953750-52-2 |
| Catalog Number | AG019LEG |
| Chemical Name | 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H20N2O3/c1-2-13-5-3-4-10(13)8-14-7-9(12(16)17)6-11(14)15/h9-10H,2-8H2,1H3,(H,16,17) |
| InChI Key | VGGNKONIJOCGOX-UHFFFAOYSA-N |
| MDL Number | MFCD09728329 |
| Molecular Formula | C12H20N2O3 |
| Molecular Weight | 240.2988 |
| SMILES | CCN1C(CN2C(=O)CC(C(O)=O)C2)CCC1 |
| Synonyms | 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid,
953750-52-2,
CTK6F0029,
AC1Q3159,
AKOS000137386,
AKOS016900794,
MCULE-7733666796,
NE27993,
EN300-30972,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.303g/mol |
| Monoisotopic Mass | 240.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number