| CAS Number | 1823491-57-1 |
| Catalog Number | AG01BUA6 |
| Chemical Name | tert-butyl 3-({[(benzyloxy)carbonyl]amino}methyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-10-9-15(12-20)11-19-16(21)23-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21) |
| InChI Key | ZBUKRLSPLMADFS-UHFFFAOYSA-N |
| MDL Number | MFCD30316368 |
| Molecular Formula | C18H26N2O4 |
| Molecular Weight | 334.41 |
| SMILES | CC(OC(N1CC(CNC(OCC2=CC=CC=C2)=O)CC1)=O)(C)C |
| Synonyms | tert-Butyl 3-({[(benzyloxy)carbonyl]amino}methyl)pyrrolidine-1-carboxylate,
1823491-57-1,
SCHEMBL19706814,
(R)-tert-Butyl 3-((((benzyloxy)carbonyl)amino)methyl)pyrrolidine-1-carboxylate,
(S)-tert-Butyl 3-((((benzyloxy)carbonyl)amino)methyl)pyrrolidine-1-carboxylate,
872714-75-5,
879275-54-4,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.416g/mol |
| Monoisotopic Mass | 334.189g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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