| CAS Number | 1101848-24-1 |
| Catalog Number | AG00HBOR(AGN-PC-0WCV9T) |
| Chemical Name | 1-Butanoylpiperidine-2-carboxylic acid |
| IUPAC Name | 1-butanoylpiperidine-2-carboxylic acid |
| InChI | InChI=1S/C10H17NO3/c1-2-5-9(12)11-7-4-3-6-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14) |
| InChI Key | YAROARGCVPNPHK-UHFFFAOYSA-N |
| MDL Number | MFCD09813230 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | CCCC(N1C(C(O)=O)CCCC1)=O |
| Synonyms | 1-butanoylpiperidine-2-carboxylic acid,
1-butyrylpiperidine-2-carboxylic acid,
1101848-24-1,
AC1Q2UFZ,
CTK6D3226,
ALBB-027357,
MFCD09813230,
AKOS000158940,
AKOS016903020,
MCULE-3674592458,
NCGC00326457-01,
EN300-51930,
2-piperidinecarboxylic acid, 1-(1-oxobutyl)-,
AB01321055-02,
T0966,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number