| CAS Number | 259133-67-0 |
| Catalog Number | AG00I4Y2(AGN-PC-0R1SDB) |
| Chemical Name | 1-(tert-Butoxycarbonyl)-1,4,5,6-tetrahydropyridine-2-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridine-6-carboxylic acid |
| InChI | InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h6H,4-5,7H2,1-3H3,(H,13,14) |
| InChI Key | RPPBLWLQRNXEBO-UHFFFAOYSA-N |
| MDL Number | MFCD20039714 |
| Molecular Formula | C11H17NO4 |
| Molecular Weight | 227.2570 |
| SMILES | CC(OC(N1C(C(O)=O)=CCCC1)=O)(C)C |
| Synonyms | 259133-67-0,
1-(tert-Butoxycarbonyl)-1,4,5,6-tetrahydropyridine-2-carboxylic acid,
2-carboxy-N-Boc-1,4,5,6-tetrahydropyridine,
MFCD20039714,
ZINC135752558,
AS-30386,
5,6-Dihydro-pyridine-1,2(4H)-dicarboxylic acid 1-tert-butyl ester,
CID11075141,
1-[(2-methylpropan-2-yl)oxycarbonyl]-5,6-dihydro-4H-pyridine-2-carboxylic Acid,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.26g/mol |
| Monoisotopic Mass | 227.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number