| CAS Number | 1040921-39-8 |
| Catalog Number | AG01EIGF |
| Chemical Name | 3-Tert-butoxycarbonylamino-piperidine-2-carboxylic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid |
| InChI | InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-12-8(7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15) |
| InChI Key | HOLNCBNWYPBBFQ-UHFFFAOYSA-N |
| MDL Number | MFCD02181060 |
| Molecular Formula | C11H20N2O4 |
| Molecular Weight | 244.2875 |
| SMILES | CC(OC(NC1C(C(O)=O)NCCC1)=O)(C)C |
| Synonyms | 3-tert-Butoxycarbonylamino-piperidine-2-carboxylic acid,
AC1N3YRB,
SCHEMBL5167817,
CTK7G9158,
3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic Acid,
1040921-39-8,
CID4072625,
79515-54-1,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.291g/mol |
| Monoisotopic Mass | 244.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
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Certificate of Analysis
Lot Number