| CAS Number | 1785096-97-0 |
| Catalog Number | AG01EKJS |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid |
| IUPAC Name | 3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(10(14)15)9(7-13)17-4/h8-9H,5-7H2,1-4H3,(H,14,15) |
| InChI Key | JEBRCXVVNPFMDQ-UHFFFAOYSA-N |
| MDL Number | MFCD28615406 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | C(C)(C)(C)OC(=O)N1CC(C(CC1)C(=O)O)OC |
| Synonyms | 1785096-97-0,
SCHEMBL14240101,
AKOS024240917,
1-[(tert-Butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid,
Cis-1-[(tert-butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid,
1-[(tert-butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid, Mixture of diastereomers,
1415741-35-3,
|
| 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 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number