| CAS Number | 1903828-90-9 |
| Catalog Number | AG01EL1G |
| Chemical Name | rel-(3R,4R)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-3-carboxylic acid |
| IUPAC Name | 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-4-6(8(13)14)7(11)5-12/h6-7H,4-5H2,1-3H3,(H,13,14) |
| InChI Key | HEDHHUUQWWXVTC-UHFFFAOYSA-N |
| MDL Number | MFCD31667601 |
| Molecular Formula | C10H15FNO4 |
| Molecular Weight | 232.2288 |
| SMILES | F[C@@H]1[C@H](CN(C1)C(=O)OC(C)(C)C)C(=O)[O-] |
| Synonyms | 1-[(tert-Butoxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid,
1545621-38-2,
trans-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-3-carboxylic acid,
1903828-90-9,
AKOS023599821,
AM807600,
1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-3-carboxylic acid,
CIS-1-(TERT-BUTOXYCARBONYL)-4-FLUOROPYRROLIDINE-3-CARBOXYLIC ACID,
1427501-91-4,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.239g/mol |
| Monoisotopic Mass | 233.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number