| CAS Number | 1263078-26-7 |
| Catalog Number | AG000SIP(AGN-PC-0WCYMM) |
| Chemical Name | (2S,4S)-4-tert-Butoxy-1-isopropyl-proline |
| IUPAC Name | (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H23NO3/c1-8(2)13-7-9(16-12(3,4)5)6-10(13)11(14)15/h8-10H,6-7H2,1-5H3,(H,14,15)/t9-,10-/m0/s1 |
| InChI Key | VZEYXTGROKSICK-UWVGGRQHSA-N |
| MDL Number | MFCD11053549 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | O(C(C)(C)C)[C@@H]1CN(C(C)C)[C@H](C(O)=O)C1 |
| Synonyms | (2S,4S)-4-tert-Butoxy-1-isopropyl-proline,
1263078-26-7,
(2S,4S)-4-(tert-Butoxy)-1-isopropylpyrrolidine-2-carboxylic acid,
MFCD11053549,
ZINC44137670,
AS-36413,
AX8266667,
X-1802,
(2S,4S)-4-tert-Butoxy-1-isopropyl-pyrrolidine-2-carboxylic acid,
L-Proline, 4-(1,1-dimethylethoxy)-1-(1-methylethyl)-, (4S)-,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number