| CAS Number | 1374673-69-4 |
| Catalog Number | AG0013B8(AGN-PC-0WCKNG) |
| Chemical Name | (R)-TERT-BUTYL 3-ACETYLPYRROLIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl (3R)-3-acetylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1 |
| InChI Key | WTNNGFYIEBJFPX-SECBINFHSA-N |
| MDL Number | MFCD24856417 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | CC([C@H]1CN(C(OC(C)(C)C)=O)CC1)=O |
| Synonyms | 1374673-69-4,
(R)-1-Boc-3-acetylpyrrolidine,
(R)-TERT-BUTYL 3-ACETYLPYRROLIDINE-1-CARBOXYLATE,
tert-Butyl (3R)-3-acetylpyrrolidine-1-carboxylate,
(R)-3-Acetyl-1-Boc-pyrrolidine,
SCHEMBL13804048,
DTXSID40727800,
1-Boc-(3R)-3-Acetylpyrrolidine,
KS-000004JC,
MFCD24856417,
ZINC40435229,
SB11888,
AS-41661,
AJ-102231,
CS-0048577,
1-Pyrrolidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester, (3R)-,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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