| CAS Number | 928063-85-8 |
| Catalog Number | AG01BTN5 |
| Chemical Name | (S)-1-Isopropyl-5-oxopyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C8H13NO3/c1-5(2)9-6(8(11)12)3-4-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)/t6-/m0/s1 |
| InChI Key | JKROOJVDSHRXCY-LURJTMIESA-N |
| MDL Number | MFCD27933275 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | C(C)(C)N1[C@@H](CCC1=O)C(=O)O |
| Synonyms | 928063-85-8,
L-Proline, 1-(1-methylethyl)-5-oxo-,
SCHEMBL2241853,
1-(1-Methylethyl)-5-oxoproline,
JKROOJVDSHRXCY-LURJTMIESA-N,
1-(1-Methylethyl)-5-oxo-proline,
ZINC4670170,
(2S)-5-oxo-1-(propan-2-yl)pyrrolidine-2-carboxylic acid,
(S)-1-isopropyl-5-oxopyrrolidine-2-carboxylic acid,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number