| CAS Number | 1417743-24-8 |
| Catalog Number | AG01DY7Y(AGN-PC-0WNXI2) |
| Chemical Name | 6-[(Tert-Butoxy)Carbonyl]-6-Azaspiro[2.5]Octane-5-Carboxylic Acid |
| IUPAC Name | 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(4-5-13)8-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | PJVQCWIKEOHTOE-UHFFFAOYSA-N |
| MDL Number | MFCD30802932 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | C(C)(C)(C)OC(=O)N1C(CC2(CC2)CC1)C(=O)O |
| Synonyms | 6-[(tert-Butoxy)carbonyl]-6-azaspiro[2.5]octane-5-carboxylic acid,
1417743-24-8,
(5R)-6-[(tert-Butoxy)carbonyl]-6-azaspiro[2.5]octane-5-carboxylic acid,
SCHEMBL14488388,
PJVQCWIKEOHTOE-UHFFFAOYSA-N,
AKOS034181549,
CS-0058021,
6-(tert-butoxycarbonyl)-6-azaspiro[2.5]octane-5-carboxylic acid,
1799811-92-9,
(S)-6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-5-carboxylic acid,
6-Azaspiro[2.5]octane-5,6-dicarboxylic acid, 6-(1,1-dimethylethyl) ester,
1262396-32-6,
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| Complexity | 368 |
| 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 |
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Certificate of Analysis
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