| CAS Number | 1159835-39-8 |
| Catalog Number | AG019VX2(AGN-PC-0WOCD0) |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C14H21N3O4/c1-13(2,3)21-12(20)16-9-5-14(6-10-16,11(18)19)17-8-4-7-15-17/h4,7-8H,5-6,9-10H2,1-3H3,(H,18,19) |
| InChI Key | WPLWDUSUZDMDDB-UHFFFAOYSA-N |
| MDL Number | MFCD12197379 |
| Molecular Formula | C14H21N3O4 |
| Molecular Weight | 295.3342 |
| SMILES | CC(OC(N1CCC(N2N=CC=C2)(C(O)=O)CC1)=O)(C)C |
| Synonyms | 1-[(tert-butoxy)carbonyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid,
1-(tert-butoxycarbonyl)-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid,
1159835-39-8,
AC1Q1MZG,
CTK7G2747,
ZINC36379558,
AKOS005264834,
MCULE-7043765829,
NE61872,
CS-0080281,
EN300-49764,
AB01007129-01,
Z600397692,
1-(tert-Butoxycarbonyl)-4-(1H-pyrazol-1-yl)-4-piperidinecarboxylic acid,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.339g/mol |
| Monoisotopic Mass | 295.153g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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