| CAS Number | 1001354-55-7 |
| Catalog Number | AG00H964(AGN-PC-0WG3TX) |
| Chemical Name | 1-(Tert-Butoxycarbonyl)-2,4,4-Trimethylpyrrolidine-2-Carboxylic Acid |
| IUPAC Name | 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C13H23NO4/c1-11(2,3)18-10(17)14-8-12(4,5)7-13(14,6)9(15)16/h7-8H2,1-6H3,(H,15,16) |
| InChI Key | ZCXQZEQKNNNNPF-UHFFFAOYSA-N |
| MDL Number | MFCD28119161 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | CC(C)(C)OC(=O)N1CC(C)(C)CC1(C)C(O)=O |
| Synonyms | 1-(tert-Butoxycarbonyl)-2,4,4-trimethylpyrrolidine-2-carboxylic acid,
1001354-55-7,
MFCD28119161,
CS-0035783,
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| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.33g/mol |
| Monoisotopic Mass | 257.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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