| CAS Number | 1000415-75-7 |
| Catalog Number | AG0000NA(AGN-PC-0WAH03) |
| Chemical Name | 1-[(tert-Butyl)oxycarbonyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | (3R,4S)-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/t13-,14+/m1/s1 |
| InChI Key | ISEHHCOIDMZBSU-KGLIPLIRSA-N |
| MDL Number | MFCD02089476 |
| Molecular Formula | C17H23NO5 |
| Molecular Weight | 321.3682 |
| SMILES | COC1=CC=C([C@@H]2[C@@H](C(O)=O)CN(C(OC(C)(C)C)=O)C2)C=C1 |
| Synonyms | 1000415-75-7,
(3R,4S)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid,
1,1-Dimethylethyl trans-3-carboxy-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate,
trans-1-Boc-3-carboxy-4-(4-methoxyphenyl)pyrrolidine,
(3R,4S)-rel-1-N-Boc-4-(4-methoxyphenyl)-?-proline,
TRANS (+/-) 1-[(TERT-BUTYL)OXYCARBONYL]-4-(4-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID,
ZINC2576614,
AKOS015851916,
CB-3329,
AJ-42534,
AX8162751,
TC-072013,
CS-0053807,
Q-2779,
(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid,
trans-1-Boc-4-(4-methoxyphenyl)-pyrrolidine-3-carboxylic acid,
Trans-1-Boc-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.373g/mol |
| Monoisotopic Mass | 321.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number