| CAS Number | 429673-82-5 |
| Catalog Number | AG01DX8G(AGN-PC-0RR6W0) |
| Chemical Name | 1-Pyrrolidinecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-4-hydroxy-,1,1-dimethylethyl ester, (3S,4S)- |
| IUPAC Name | tert-butyl (3S,4S)-3-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H28N2O5/c1-14(2,3)21-12(19)16(7)10-8-17(9-11(10)18)13(20)22-15(4,5)6/h10-11,18H,8-9H2,1-7H3/t10-,11-/m0/s1 |
| InChI Key | LIUXUDRASSWGLX-QWRGUYRKSA-N |
| MDL Number | MFCD28401041 |
| Molecular Formula | C15H28N2O5 |
| Molecular Weight | 316.3932 |
| SMILES | O=C(N1C[C@H](N(C(OC(C)(C)C)=O)C)[C@@H](O)C1)OC(C)(C)C |
| Synonyms | 429673-82-5,
(3S,4S)-tert-Butyl 3-((tert-butoxycarbonyl)(methyl)amino)-4-hydroxypyrrolidine-1-carboxylate,
SCHEMBL761619,
AKOS025147234,
ZINC114533122,
1-Pyrrolidinecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-4-hydroxy-,1,1-dimethylethyl ester, (3S,4S)-,
(3S,4S)-1-tert-butoxycarbonyl-3-(N-tert-butoxycarbonyl)methylamino-4-hydroxypyrrolidine,
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| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.398g/mol |
| Monoisotopic Mass | 316.2g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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