| CAS Number | 449758-68-3 |
| Catalog Number | AG01FPOI(AGN-PC-3H5P1I) |
| Chemical Name | trans-1-(tert-butoxycarbonyl)-3-methyl-2-pyrrolidinecarboxylic acid |
| IUPAC Name | (2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-7-5-6-12(8(7)9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1 |
| InChI Key | HBXAVWDHOQFJAH-YUMQZZPRSA-N |
| MDL Number | MFCD28963467 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | |
| Synonyms | 449758-68-3,
61406-66-4,
rac-(3S)-1-(tert-butoxycarbonyl)-3-methyl-L-proline,
SCHEMBL627415,
trans-1-(tert-Butoxycarbonyl)-3-methylpyrrolidine-2-carboxylic acid,
HBXAVWDHOQFJAH-YUMQZZPRSA-N,
ZINC32156413,
N-t-Butoxycarbonyl-trans-3-methyl-L-proline,
1-(tert-Butoxycarbonyl)-3beta-methyl-L-proline,
(3S)-1-(tert-butoxycarbonyl)-3-methyl-L-proline,
(2s,3s)-1-(tert-butoxycarbonyl)-3-methylpyrrolidine-2-carboxylic acid,
AJ-84816,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131408g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.27g/mol |
| Monoisotopic Mass | 229.131408g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number