(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid
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Product Code | F244235 |
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Product Name | (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid |
Other Names | Boc-(R)-4-[2-(trifluoromethyl)benzyl]-L-proline |
CAS | 957311-13-6 |
Purity | 95.0% |
Molecular weight | 373.372 |
IUPAC Name | (2S,4R)-1-[(tert-butoxy)carbonyl]-4-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidine-2-carboxylic acid |
SMILES | CC(C)(C)OC(=O)N1C[C@H](CC2=CC=CC=C2C(F)(F)F)C[C@H]1C(O)=O |
INCHI Code | InChI=1S/C18H22F3NO4/c1-17(2,3)26-16(25)22-10-11(9-14(22)15(23)24)8-12-6-4-5-7-13(12)18(19,20)21/h4-7,11,14H,8-10H2,1-3H3,(H,23,24)/t11-,14+/m1/s1 |
Asymmetric atoms | 2 |
LogP | 4.0072455 |
H bond acceptors | 3 |
H bond donors | 1 |
fsp3 | 0.5555556 |
Concept Codes | Phenyl, Carboxylic acid, Heterocycle, Tertiary amine, Amine (P+S+T), Fluoro, Halo, Chiral, NBOC, Trifluoromethyl, Amino acid, 5-Membered heterocycle, Chiral carboxylic acid, Monosubstituted (ortho) trifluoromethylbenzene, Pyrrolidine, Cyclic, Aromatic, PFA01, PFA02 |