| CAS Number | 99783-45-6 |
| Catalog Number | AG01DUBM(AGN-PC-0OP9HP) |
| Chemical Name | 1-(2-Acetamidoacetyl)Pyrrolidine-2-Carboxylic Acid |
| IUPAC Name | 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C9H14N2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7H,2-5H2,1H3,(H,10,12)(H,14,15) |
| InChI Key | ZHTPYHWQBGPPKX-UHFFFAOYSA-N |
| MDL Number | MFCD09949521 |
| Molecular Formula | C9H14N2O4 |
| Molecular Weight | 214.2185 |
| SMILES | CC(NCC(N1C(C(O)=O)CCC1)=O)=O |
| Synonyms | 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid,
99783-45-6,
AC1Q1L4Y,
L-Proline, 1-(N-acetylglycyl)-,
AKOS000197913,
AKOS022478272,
MCULE-4128564537,
NE62642,
EN300-68856,
Z1270255468,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.221g/mol |
| Monoisotopic Mass | 214.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number