| CAS Number | 1946010-90-7 |
| Catalog Number | AG00I32F(AGN-PC-0WNGWI) |
| Chemical Name | (2R,4R)-4-((tert-Butoxycarbonyl)amino)-1-methylpyrrolidine-2-carboxylic acid |
| IUPAC Name | (2R,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-,8-/m1/s1 |
| InChI Key | AZGABNOEFBPTEM-HTQZYQBOSA-N |
| MDL Number | MFCD29921772 |
| Molecular Formula | C11H20N2O4 |
| Molecular Weight | 244.2875 |
| SMILES | C(C)(C)(C)OC(=O)N[C@@H]1C[C@@H](N(C1)C)C(=O)O |
| Synonyms | (4R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-methyl-D-proline,
1946010-90-7,
D-Proline, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, (4R)-,
MFCD29921772,
ZINC206988963,
SB22159,
AS-52495,
CS-0049620,
D-roline, 4-[(1,1-imethylethoxy)arbonyl]mino]-1-ethyl-, (4R)-,
(2R,4R)-4-(tert-butoxycarbonylamino)-1-methylpyrrolidine-2-carboxylic acid,
(2R,4R)-4-{[(tert-butoxy)carbonyl]amino}-1-methylpyrrolidine-2-carboxylic acid,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
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Certificate of Analysis
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