| CAS Number | 1240528-62-4 |
| Catalog Number | AG018RWE(AGN-PC-0WBPXQ) |
| Chemical Name | 1-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19) |
| InChI Key | RVYWWQANMITGFR-UHFFFAOYSA-N |
| MDL Number | MFCD16547667 |
| Molecular Formula | C15H22N2O4 |
| Molecular Weight | 294.3462 |
| SMILES | CC(OC(N1CCC(N2C(C(O)=O)=CC=C2)CC1)=O)(C)C |
| Synonyms | 1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1H-pyrrole-2-carboxylic acid,
1240528-62-4,
EN300-64408,
AC1Q1N00,
ZINC47844208,
AKOS011335760,
MCULE-6429126918,
NE51536,
BBV-34735597,
F8881-2163,
Z1259161880,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.351g/mol |
| Monoisotopic Mass | 294.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number