| CAS Number | 1044637-58-2 |
| Catalog Number | AG019MM9(AGN-PC-0WO5OP) |
| Chemical Name | 1-Isobutylpiperidine-2-carboxylic acid |
| IUPAC Name | 1-(2-methylpropyl)piperidine-2-carboxylic acid |
| InChI | InChI=1S/C10H19NO2/c1-8(2)7-11-6-4-3-5-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13) |
| InChI Key | WRYBPJOTTKPNGQ-UHFFFAOYSA-N |
| MDL Number | MFCD08445056 |
| Molecular Formula | C10H19NO2 |
| Molecular Weight | 185.2634 |
| SMILES | CC(CN1C(C(O)=O)CCCC1)C |
| Synonyms | 1-isobutylpiperidine-2-carboxylic acid,
1-(2-methylpropyl)piperidine-2-carboxylic acid,
1044637-58-2,
AC1Q1PME,
SCHEMBL3711047,
CTK6A8398,
AKOS009113529,
MCULE-6048443233,
NE61777,
EN300-36587,
A1-07693,
Z228589138,
1-Isobutyl-piperidine-2-carboxylic acid 1HCl salt,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.267g/mol |
| Monoisotopic Mass | 185.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number