| CAS Number | 1217708-58-1 |
| Catalog Number | AG009Z11 |
| Chemical Name | benzyl (3S)-3-({[(tert-butoxy)carbonyl]amino}methyl)pyrrolidine-1-carboxylate |
| IUPAC Name | benzyl (3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)19-11-15-9-10-20(12-15)17(22)23-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1 |
| InChI Key | XSSINUHYHRQZEB-HNNXBMFYSA-N |
| MDL Number | MFCD09038768 |
| Molecular Formula | C18H26N2O4 |
| Molecular Weight | 334.4100 |
| SMILES | CC(C)(C)OC(=O)NC[C@@H]1CCN(C1)C(=O)OCc1ccccc1 |
| Synonyms | 1217708-58-1,
S-1-CBZ-3-(BOC-AMINOMETHYL)-PYRROLIDINE,
ZINC39952139,
AKOS015855563,
s-1-cbz-3-(boc-aminomethyl)pyrrolidine,
AJ-101177,
(S)-N-Cbz-3-N-Boc-aminomethyl-pyrrolidine,
W-3704,
Benzyl (3S)-3-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidinecarboxylate,
(S)-1-Cbz-3-(Boc-aminomethyl)pyrrolidine,
benzyl (3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl,
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| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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