| CAS Number | 1263377-95-2 |
| Catalog Number | AG009K5C |
| Chemical Name | 4-Methoxy-piperidine-1,2-dicarboxylic acid 1-tert-butyl ester |
| IUPAC Name | 4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid |
| InChI | InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(17-4)7-9(13)10(14)15/h8-9H,5-7H2,1-4H3,(H,14,15) |
| InChI Key | HZCNIGRPBBQZMH-UHFFFAOYSA-N |
| MDL Number | MFCD18432570 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | COC1CC(C(O)=O)N(C(OC(C)(C)C)=O)CC1 |
| Synonyms | 4-Methoxy-piperidine-1,2-dicarboxylic acid 1-tert-butyl ester,
1263377-95-2,
SCHEMBL20312904,
Z-6158,
1-(tert-butoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid,
1-[(tert-butoxy)carbonyl]-4-methoxypiperidine-2-carboxylic acid,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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