| CAS Number | 89775-75-7 |
| Catalog Number | AG008776(AGN-PC-0JCHAS) |
| Chemical Name | 3-Piperidinecarboxylic acid, 3-methyl-2-oxo- |
| IUPAC Name | 3-methyl-2-oxopiperidine-3-carboxylic acid |
| InChI | InChI=1S/C7H11NO3/c1-7(6(10)11)3-2-4-8-5(7)9/h2-4H2,1H3,(H,8,9)(H,10,11) |
| InChI Key | ZHFYGKPIJJBFJH-UHFFFAOYSA-N |
| MDL Number | MFCD20642351 |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.1671 |
| SMILES | CC1(C(O)=O)C(=O)NCCC1 |
| Synonyms | 3-methyl-2-oxopiperidine-3-carboxylic acid,
89775-75-7,
3-Piperidinecarboxylic acid, 3-methyl-2-oxo-,
ACMC-20lq9r,
CTK2J0601,
DTXSID70755313,
AKOS023252766,
MCULE-2127943120,
NE43408,
Z1869801232,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.169g/mol |
| Monoisotopic Mass | 157.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number