| CAS Number | 1955492-62-2 |
| Catalog Number | AG01B5H3 |
| Chemical Name | 2-[(tert-butoxy)carbonyl]-2-azaspiro[3.4]octane-1-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.4]octane-3-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-13(6-4-5-7-13)9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | UFRFPINAEOFOIN-UHFFFAOYSA-N |
| MDL Number | MFCD30181082 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(C1N(C(OC(C)(C)C)=O)CC12CCCC2)O |
| Synonyms | 1955492-62-2,
2-(tert-Butoxycarbonyl)-2-azaspiro[3.4]octane-1-carboxylic acid,
2-[(tert-butoxy)carbonyl]-2-azaspiro[3.4]octane-1-carboxylic acid,
AKOS033935105,
CS-0091798,
Z2517219368,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number