| CAS Number | 1396555-79-5 |
| Catalog Number | AG01BFGO(AGN-PC-0WCOEN) |
| Chemical Name | 1-[(Tert-butoxy)carbonyl]-3-hydroxypiperidine-3-carboxylic acid |
| IUPAC Name | 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-4-5-11(16,7-12)8(13)14/h16H,4-7H2,1-3H3,(H,13,14) |
| InChI Key | ANMQQEWQWWIFEP-UHFFFAOYSA-N |
| MDL Number | MFCD22587934 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | CC(OC(N1CC(C(O)=O)(O)CCC1)=O)(C)C |
| Synonyms | 1-(tert-butoxycarbonyl)-3-hydroxypiperidine-3-carboxylic acid,
1396555-79-5,
1-[(tert-butoxy)carbonyl]-3-hydroxypiperidine-3-carboxylic acid,
AKOS023411909,
MCULE-4868847417,
VU0494927-1,
F2193-0022,
Z2293604271,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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