| CAS Number | 1367552-84-8 |
| Catalog Number | AG019EL3(AGN-PC-0WG47U) |
| Chemical Name | (2S)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-11(4,16)5-7(12)8(13)14/h7,16H,5-6H2,1-4H3,(H,13,14)/t7-,11?/m0/s1 |
| InChI Key | VIOFTYREMPLPMF-RGENBBCFSA-N |
| MDL Number | MFCD29917033 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | OC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)O |
| Synonyms | 1367552-84-8,
(2S)-1-(tert-Butoxycarbonyl)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid,
(2S)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid,
SCHEMBL875540,
VIOFTYREMPLPMF-RGENBBCFSA-N,
MFCD29917033,
TZ000699,
CS-0036556,
(2S)-1-(t-Butoxycarbonyl)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid,
(2S)-1-[(tert-butoxy)carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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