| CAS Number | 942189-86-8 |
| Catalog Number | AG01C1L0 |
| Chemical Name | 1-tert-butyl 3-methyl 3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-methyl 3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate |
| InChI | InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-5-12(7-13,8-14)9(15)17-4/h14H,5-8H2,1-4H3 |
| InChI Key | XWVAGXIZRGLYKA-UHFFFAOYSA-N |
| MDL Number | MFCD11877840 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | COC(C1(CN(C(OC(C)(C)C)=O)CC1)CO)=O |
| Synonyms | 942189-86-8,
1-tert-butyl 3-methyl 3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate,
SCHEMBL12193909,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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