| CAS Number | 28310-65-8 |
| Catalog Number | AG00C1EP(AGN-PC-0R3UW7) |
| Chemical Name | Boc-Pro-Onp |
| IUPAC Name | 1-O-tert-butyl 2-O-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate |
| InChI | InChI=1S/C16H20N2O6/c1-16(2,3)24-15(20)17-10-4-5-13(17)14(19)23-12-8-6-11(7-9-12)18(21)22/h6-9,13H,4-5,10H2,1-3H3/t13-/m0/s1 |
| InChI Key | GUVOBXQVANZIKH-ZDUSSCGKSA-N |
| MDL Number | MFCD00037323 |
| Molecular Formula | C16H20N2O6 |
| Molecular Weight | 336.3398 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OC1=CC=C(C=C1)[N+]([O-])=O |
| Synonyms | BOC-PRO-ONP,
28310-65-8,
Boc-L-Proline-p-nitrophenyl ester,
SCHEMBL7359670,
ZINC4899431,
6439AH,
MFCD00037323,
ACM28310658,
AS-46888,
K-7064,
C-46733,
(S)-1-tert-Butyl 2-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate,
1,2-Pyrrolidinedicarboxylicacid,1-(1,1-dimethylethyl)2-(4-nitrophenyl)ester,(2S)-,
C16H20N2O6,
NSC164055,
CID10936605,
|
| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.344g/mol |
| Monoisotopic Mass | 336.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number