| CAS Number | 1231158-30-7 |
| Catalog Number | AG01C4D5 |
| Chemical Name | 1-(tert-Butoxycarbonyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid |
| IUPAC Name | 4-(2-methoxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C14H25NO5/c1-13(2,3)20-12(18)15-8-5-14(6-9-15,11(16)17)7-10-19-4/h5-10H2,1-4H3,(H,16,17) |
| InChI Key | MNZDYFMMBHCLPD-UHFFFAOYSA-N |
| MDL Number | MFCD27995832 |
| Molecular Formula | C14H25NO5 |
| Molecular Weight | 287.3520 |
| SMILES | COCCC1(C(O)=O)CCN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | 1231158-30-7,
1-(tert-Butoxycarbonyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid,
ZINC62851336,
AKOS012430884,
KS-8635,
1-[(tert-butoxy)carbonyl]-4-(2-methoxyethyl)piperidine-4-carboxylic acid,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.356g/mol |
| Monoisotopic Mass | 287.173g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number