| CAS Number | 954584-11-3 |
| Catalog Number | AG01A90K |
| Chemical Name | 1-(2-methylbutanoyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(2-methylbutanoyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C11H19NO3/c1-3-8(2)10(13)12-6-4-5-9(7-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15) |
| InChI Key | BGYPWZQLAHUGGX-UHFFFAOYSA-N |
| MDL Number | MFCD09741809 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | CCC(C(N1CC(C(O)=O)CCC1)=O)C |
| Synonyms | 1-(2-methylbutanoyl)piperidine-3-carboxylic acid,
954584-11-3,
AC1Q2S0B,
CTK6C7075,
AKOS000150639,
AKOS016051201,
MCULE-3566431041,
NE17739,
EN300-63906,
Z1259161842,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number