(3S,4R)-4-(3-Cyanophenyl)-1,3-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) Ester - CAS 959580-33-7
Catalog: |
BB069125 |
Product Name: |
(3S,4R)-4-(3-Cyanophenyl)-1,3-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) Ester |
CAS: |
959580-33-7 |
Synonyms: |
(3S,4R)-1-(tert-butoxycarbonyl)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid; Trans-1-Boc-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid; (3S,4R)-4-(3-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid; (3S,4R)-4-(3-Cyanophenyl)-1,3-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) Ester; (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-cyanophenyl)pyrrolidine-3-carboxylicacid |
IUPAC Name: | (3S,4R)-4-(3-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
Description: | (3S,4R)-4-(3-Cyanophenyl)-1,3-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) Ester is a useful synthetic intermediate. |
Molecular Weight: | 316.35 |
Molecular Formula: | C17H20N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC(=C2)C#N |
InChI: | InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13(14(10-19)15(20)21)12-6-4-5-11(7-12)8-18/h4-7,13-14H,9-10H2,1-3H3,(H,20,21)/t13-,14+/m0/s1 |
InChI Key: | ZHFKFVXDOBTIEP-UONOGXRCSA-N |
Complexity: | 516 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 316.14230712 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.14230712 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 90.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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