| CAS Number | 1935392-13-4 |
| Catalog Number | AG019ENC |
| Chemical Name | 1-(tert-Butoxycarbonyl)-4-hydroxy-3-methylpyrrolidine-3-carboxylic acid |
| IUPAC Name | 4-hydroxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-10(2,3)17-9(16)12-5-7(13)11(4,6-12)8(14)15/h7,13H,5-6H2,1-4H3,(H,14,15) |
| InChI Key | DUFNWGXIKVWFIZ-UHFFFAOYSA-N |
| MDL Number | MFCD28965051 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | O=C(C1(C)CN(C(OC(C)(C)C)=O)CC1O)O |
| Synonyms | 1-(tert-Butoxycarbonyl)-4-hydroxy-3-methylpyrrolidine-3-carboxylic acid,
1499189-52-4,
1935392-13-4,
MFCD28965051,
AKOS027255443,
CS-0035926,
FT-0764275,
1-(t-Butoxycarbonyl)-4-hydroxy-3-methylpyrrolidine-3-carboxylic acid,
1-(Tert-Butoxycarbonyl)-4-Hydroxy-3-Methylpyrrolidine-3-Carboxylic Acid(WX611743),
4-hydroxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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