| CAS Number | 1308650-55-6 |
| Catalog Number | AG019RLZ |
| Chemical Name | tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-9-7-16(8-10-17)12(18)11-5-4-6-15-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1 |
| InChI Key | MUWOCYONAOKDIN-NSHDSACASA-N |
| MDL Number | MFCD18089557 |
| Molecular Formula | C14H25N3O3 |
| Molecular Weight | 283.3666 |
| SMILES | CC(OC(N1CCN(C([C@H]2NCCC2)=O)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate,
EN300-89963,
1308650-55-6,
tert-butyl 4-{[(2S)-pyrrolidin-2-yl]carbonyl}piperazine-1-carboxylate,
ZINC36379759,
AC1Q1N5F,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.189592g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.37g/mol |
| Monoisotopic Mass | 283.189592g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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