| CAS Number | 1461707-32-3 |
| Catalog Number | AG01A5YY |
| Chemical Name | tert-butyl 3-[(2-nitrophenyl)amino]pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(2-nitroanilino)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-9-8-11(10-17)16-12-6-4-5-7-13(12)18(20)21/h4-7,11,16H,8-10H2,1-3H3 |
| InChI Key | OYKVDHNZFSJFAJ-UHFFFAOYSA-N |
| MDL Number | MFCD25371643 |
| Molecular Formula | C15H21N3O4 |
| Molecular Weight | 307.3449 |
| SMILES | CC(OC(N1CC(NC2=C([N+]([O-])=O)C=CC=C2)CC1)=O)(C)C |
| Synonyms | tert-butyl 3-[(2-nitrophenyl)amino]pyrrolidine-1-carboxylate,
1461707-32-3,
NE62116,
tert-butyl (3R)-3-(2-nitroanilino)pyrrolidine-1-carboxylate,
(R)-tert-Butyl 3-((2-nitrophenyl)amino)pyrrolidine-1-carboxylate,
1000370-76-2,
|
| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.35g/mol |
| Monoisotopic Mass | 307.153g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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