| CAS Number | 200184-91-4 |
| Catalog Number | AG01BUVG(AGN-PC-0QR51Y) |
| Chemical Name | (2R,4R)-1-((benzyloxy)carbonyl)-4-methoxypyrrolidine-2-carboxylic acid |
| IUPAC Name | (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C14H17NO5/c1-19-11-7-12(13(16)17)15(8-11)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,17)/t11-,12-/m1/s1 |
| InChI Key | SRQAKAAEVLROCY-VXGBXAGGSA-N |
| MDL Number | MFCD30476187 |
| Molecular Formula | C14H17NO5 |
| Molecular Weight | 279.2885 |
| SMILES | CO[C@H]1CN(C(OCC2=CC=CC=C2)=O)[C@@H](C(O)=O)C1 |
| Synonyms | (2R,4R)-1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid,
200184-91-4,
SCHEMBL7370454,
ZINC19441624,
CID11687747,
(2R,4R)-4-methoxy-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic Acid,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.110673g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.29g/mol |
| Monoisotopic Mass | 279.110673g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number