| Molecular Formula | C12H19NO6 |
| Compound Complexity | 386 |
| Canonicalized Compound | 1 |
| Hydrogen Bond Donor Count | 1 |
| Rotatable Bond Count | 5 |
| Allowed IUPAC Name | (3S,5S)-1-tert-butoxycarbonyl-5-methoxycarbonyl-pyrrolidine-3-carboxylic acid |
| CAS-like Style IUPAC Name | (3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid |
| Markup IUPAC Name | (3<I>S</I>,5<I>S</I>)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| Preferred IUPAC Name | (3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| Systematic IUPAC Name | (3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| Traditional IUPAC Name | (3S,5S)-1-tert-butoxycarbonyl-5-carbomethoxy-pyrrolidine-3-carboxylic acid |
| Standard InChI | InChI=1S/C12H19NO6/c1-12(2,3)19-11(17)13-6-7(9(14)15)5-8(13)10(16)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)/t7-,8-/m0/s1 |
| Standard InChIKey | HMHBAEDPNFIUEI-YUMQZZPRSA-N |
| XLogP3-AA Log P | 0.7 |
| Exact Mass | 273.12123733 |
| Molecular Weight | 273.28 |
| Hydrogen Bond Acceptor Count | 6 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)C(=O)O |
| Polar Surface Area Topological | 93.1 |
| MonoIsotopic Weight | 273.12123733 |
| Canonical SMILES | CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)C(=O)O |
| Chemical Structure |  |
| Class | Specialty Materials |
