| CAS Number | 1507389-76-5 |
| Catalog Number | AG019TPE(AGN-PC-0WG4WD) |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid |
| IUPAC Name | 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-7-8(9(13)14)5-6-12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14) |
| InChI Key | WHYRSTZRPZXWFG-UHFFFAOYSA-N |
| MDL Number | MFCD21865316 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | O=C(C1C(C)N(C(OC(C)(C)C)=O)CC1)O |
| Synonyms | 1507389-76-5,
1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-3-carboxylic acid,
1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid,
Cis-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-3-carboxylic acid,
664364-34-5,
SCHEMBL17631616,
AKOS017916989,
NE52640,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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