| CAS Number | 1427501-91-4 |
| Catalog Number | AG00A1JF(AGN-PC-0WD8EL) |
| Chemical Name | cis-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-3-carboxylic acid |
| IUPAC Name | (3R,4S)-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)/t6-,7+/m0/s1 |
| InChI Key | HEDHHUUQWWXVTC-NKWVEPMBSA-N |
| MDL Number | MFCD23703411 |
| Molecular Formula | C10H16FNO4 |
| Molecular Weight | 233.2367 |
| SMILES | C(C)(C)(C)OC(=O)N1C[C@H]([C@H](C1)F)C(=O)O |
| Synonyms | CIS-1-(TERT-BUTOXYCARBONYL)-4-FLUOROPYRROLIDINE-3-CARBOXYLIC ACID,
1427501-91-4,
MFCD23703411,
ZINC95616708,
AS-41597,
CS-0055746,
cis-1-[(tert-Butoxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid,
cis-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-3-carboxylicacid,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number