| CAS Number | 183808-09-5 |
| Catalog Number | AG01BCL0(AGN-PC-0QCQGZ) |
| Chemical Name | rac-(1R,2S)-2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}cyclopropane-1-carboxylic acid |
| IUPAC Name | (1R,2S)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-6-4-9(5-7-15)10-8-11(10)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t10-,11+/m0/s1 |
| InChI Key | RMNKRWVTEOFMCN-WDEREUQCSA-N |
| MDL Number | MFCD28954175 |
| Molecular Formula | C14H23NO4 |
| Molecular Weight | 269.3367 |
| SMILES | C(O)(=O)[C@H]1[C@@H](C1)[C@@H]2CCN(C(OC(C)(C)C)=O)CC2 |
| Synonyms | SCHEMBL7450072,
AKOS034811415,
ZINC141702235,
EN300-218495,
rac-(1R,2S)-2-(1-(tert-butoxycarbonyl)piperidin-4-yl)cyclopropanecarboxylic acid, trans,
183808-09-5,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.341g/mol |
| Monoisotopic Mass | 269.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number