| CAS Number | 785825-41-4 |
| Catalog Number | AG00GAK1(AGN-PC-0WOJBA) |
| Chemical Name | Boc-D-Pro-NHMe |
| IUPAC Name | tert-butyl (2R)-2-(methylcarbamoyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-7-5-6-8(13)9(14)12-4/h8H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1 |
| InChI Key | JTLUSFVWHVIZGT-MRVPVSSYSA-N |
| MDL Number | MFCD18072449 |
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.2881 |
| SMILES | CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C |
| Synonyms | Boc-D-Pro-NHMe,
785825-41-4,
(R)-1-Boc-N-methylpyrrolidine-2-carboxamide,
(R)-tert-Butyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate,
SCHEMBL15307926,
ZINC34199795,
AKOS027253163,
DB-075493,
FT-0773730,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.292g/mol |
| Monoisotopic Mass | 228.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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