| CAS Number | 1570303-15-9 |
| Catalog Number | AG01BHRN |
| Chemical Name | 1-[2-methyl-3-(methylsulfanyl)propanoyl]piperidine-4-carboxylic acid |
| IUPAC Name | 1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H19NO3S/c1-8(7-16-2)10(13)12-5-3-9(4-6-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15) |
| InChI Key | FPAKGMDYOXLBHX-UHFFFAOYSA-N |
| MDL Number | MFCD28246285 |
| Molecular Formula | C11H19NO3S |
| Molecular Weight | 245.3385 |
| SMILES | CSCC(C(N1CCC(C(O)=O)CC1)=O)C |
| Synonyms | 1-[2-methyl-3-(methylsulfanyl)propanoyl]piperidine-4-carboxylic acid,
1570303-15-9,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.337g/mol |
| Monoisotopic Mass | 245.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number