| CAS Number | 147266-70-4 |
| Catalog Number | AG01AGCD(AGN-PC-0Q030Y) |
| Chemical Name | (2R,4S)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid |
| IUPAC Name | (2R,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(16-4)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m0/s1 |
| InChI Key | COHIMMPWCAHSFN-JGVFFNPUSA-N |
| MDL Number | MFCD22418971 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | CO[C@@H]1CN([C@H](C1)C(=O)O)C(=O)OC(C)(C)C |
| Synonyms | 147266-70-4,
(2R,4S)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid,
(2r,4s)-1-(tert-butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid,
SCHEMBL3829673,
MFCD22418971,
ZINC19434966,
MCULE-9343352735,
NE16933,
AS-41208,
(2R,4S)-1-(t-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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