| CAS Number | 869786-47-0 |
| Catalog Number | AG01C4EN |
| Chemical Name | 3-{[(tert-butoxy)carbonyl]amino}-1-methylpyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)12-11(8(14)15)5-6-13(4)7-11/h5-7H2,1-4H3,(H,12,16)(H,14,15) |
| InChI Key | ZODJPPKRQHLVLG-UHFFFAOYSA-N |
| MDL Number | MFCD08456966 |
| Molecular Formula | C11H20N2O4 |
| Molecular Weight | 244.2875 |
| SMILES | O=C(C1(NC(OC(C)(C)C)=O)CN(C)CC1)O |
| Synonyms | 3-{[(tert-butoxy)carbonyl]amino}-1-methylpyrrolidine-3-carboxylic acid,
869786-47-0,
SCHEMBL4463790,
AKOS013463979,
Z2583036228,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.291g/mol |
| Monoisotopic Mass | 244.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
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Lot Number