| CAS Number | 497103-78-3 |
| Catalog Number | AG00DJ87(AGN-PC-0S4BDR) |
| Chemical Name | (2R,4R)-1-(tert-Butoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | (2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-5-6(11(12,13)14)4-7(15)8(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7-/m1/s1 |
| InChI Key | OHIYKPXMNWXZQH-RNFRBKRXSA-N |
| MDL Number | MFCD26521847 |
| Molecular Formula | C11H16F3NO4 |
| Molecular Weight | 283.2442 |
| SMILES | C(C)(C)(C)OC(=O)N1[C@H](C[C@H](C1)C(F)(F)F)C(=O)O |
| Synonyms | (2R,4R)-1-(tert-Butoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid,
497103-78-3,
SCHEMBL3830320,
MFCD26521847,
ZINC34555904,
AS-39839,
CS-0079937,
4beta-(Trifluoromethyl)pyrrolidine-1,2beta-dicarboxylic acid 1-tert-butyl ester,
CID10902099,
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic Acid,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.247g/mol |
| Monoisotopic Mass | 283.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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