| CAS Number | 889654-10-8 |
| Catalog Number | AG0089CD(AGN-PC-0VO8J0) |
| Chemical Name | 1-(1,1-Dimethylethyl) 3-phenyl-1,3-pyrrolidinedicarboxylate |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-10-9-16(11-17,13(18)19)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,18,19) |
| InChI Key | RDAXHOIPDPHTNI-UHFFFAOYSA-N |
| MDL Number | MFCD09056799 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | CC(C)(C)OC(=O)N1CCC(C1)(c2ccccc2)C(=O)O |
| Synonyms | 889654-10-8,
1-(TERT-BUTOXYCARBONYL)-3-PHENYLPYRROLIDINE-3-CARBOXYLIC ACID,
1,3-Pyrrolidinedicarboxylicacid, 3-phenyl-, 1-(1,1-dimethylethyl) ester,
SCHEMBL19183400,
CTK5G2039,
DTXSID80659671,
2114AF,
MFCD09056799,
AKOS027327631,
MB07006,
AS-36581,
1-Boc-3-phenyl-3-pyrrolidinecarboxylic acid,
4CH-002845,
Z2240989642,
1-[(tert-butoxy)carbonyl]-3-phenylpyrrolidine-3-carboxylic acid,
C16H21NO4,
1-Boc-3-phenyl-3-pyrrolidinecarboxylicacid,
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| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.347g/mol |
| Monoisotopic Mass | 291.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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