| CAS Number | 1017668-81-3 |
| Catalog Number | AG019N2C |
| Chemical Name | 1-(Pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C11H18N2O3/c14-10(15)9-4-3-7-13(8-9)11(16)12-5-1-2-6-12/h9H,1-8H2,(H,14,15) |
| InChI Key | CSMCSYUVHXHTPJ-UHFFFAOYSA-N |
| MDL Number | MFCD10012141 |
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.2722 |
| SMILES | OC(C1CN(C(N2CCCC2)=O)CCC1)=O |
| Synonyms | 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid,
1-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxylic acid,
1017668-81-3,
AC1Q74HU,
CTK7I9413,
AKOS009290501,
MCULE-6571773588,
EN300-39218,
AB01007431-01,
Z398556888,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.276g/mol |
| Monoisotopic Mass | 226.132g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number