| CAS Number | 595547-21-0 |
| Catalog Number | AG01DTIS(AGN-PC-0SSL54) |
| Chemical Name | (3S,4S)-1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C13H21NO6/c1-5-19-11(17)9-7-14(6-8(9)10(15)16)12(18)20-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16) |
| InChI Key | BHOJIKSQYLVZHD-UHFFFAOYSA-N |
| MDL Number | MFCD29038963 |
| Molecular Formula | C13H21NO6 |
| Molecular Weight | 287.3089 |
| SMILES | CCOC(=O)[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OC(C)(C)C |
| Synonyms | 1309251-07-7,
1-(TERT-BUTOXYCARBONYL)-4-(ETHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID,
595547-21-0,
trans-1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid,
252919-44-1,
SCHEMBL3369192,
AKOS030625500,
AX8296473,
FT-0713818,
(3S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(ETHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID,
1-(tert-butoxycarbonyl)-3-ethylpyrrolidine-3,4-dicarboxylic acid,
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.312g/mol |
| Monoisotopic Mass | 287.137g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number