| CAS Number | 874455-64-8 |
| Catalog Number | AG019N3B |
| Chemical Name | 1-(butylcarbamoyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(butylcarbamoyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H20N2O3/c1-2-3-6-12-11(16)13-7-4-9(5-8-13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15) |
| InChI Key | STYHMFPKRZIJHQ-UHFFFAOYSA-N |
| MDL Number | MFCD07428863 |
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.2881 |
| SMILES | CCCCNC(N1CCC(C(O)=O)CC1)=O |
| Synonyms | 1-(butylcarbamoyl)piperidine-4-carboxylic acid,
874455-64-8,
1-[(butylamino)carbonyl]piperidine-4-carboxylic acid,
AC1Q2X1V,
CTK6E2781,
STL229869,
ZINC82068218,
AKOS001258762,
MCULE-3369615006,
NE61533,
NCGC00333785-01,
ST50177618,
EN300-39286,
1-(N-butylcarbamoyl)piperidine-4-carboxylic acid,
AB01323722-02,
Z212059806,
4-Piperidinecarboxylic acid, 1-[(butylamino)carbonyl],
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.292g/mol |
| Monoisotopic Mass | 228.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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