| CAS Number | 1217662-71-9 |
| Catalog Number | AG00HGDP(AGN-PC-0WBO7E) |
| Chemical Name | Boc-(S)-α-(3-bromobenzyl)proline |
| IUPAC Name | (2S)-2-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(22)19-9-5-8-17(19,14(20)21)11-12-6-4-7-13(18)10-12/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,20,21)/t17-/m0/s1 |
| InChI Key | DSGWYYBWPWHDEU-KRWDZBQOSA-N |
| MDL Number | MFCD06796765 |
| Molecular Formula | C17H22BrNO4 |
| Molecular Weight | 384.2649 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(Br)c1)C(O)=O |
| Synonyms | BOC-(S)-ALPHA-(3-BROMO-BENZYL)-PROLINE,
1217662-71-9,
AC1OG9VP,
ZINC4241007,
6224AH,
MFCD06796765,
(2S)-2-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid,
K-1634,
C17H22BrNO4,
Boc-(S)-a-(3-bromobenzyl)proline,
CID7145397,
|
| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.27g/mol |
| Monoisotopic Mass | 383.073g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number