| CAS Number | 1363382-36-8 |
| Catalog Number | AG0011PU(AGN-PC-0WNNCJ) |
| Chemical Name | 5-Boc-5-azaspiro[2.5]octane-1-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.5]octane-2-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(8-14)7-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | JKPWYFGEQHQKIK-UHFFFAOYSA-N |
| MDL Number | MFCD22566165 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(C1CC12CN(C(OC(C)(C)C)=O)CCC2)O |
| Synonyms | 1363382-36-8,
5-BOC-5-AZASPIRO[2.5]OCTANE-1-CARBOXYLIC ACID,
5-[(tert-butoxy)carbonyl]-5-azaspiro[2.5]octane-1-carboxylic acid,
5-(tert-Butoxycarbonyl)-5-azaspiro[2.5]octane-1-carboxylic acid,
SCHEMBL17960132,
JKPWYFGEQHQKIK-UHFFFAOYSA-N,
MFCD22566165,
AKOS023587878,
PB37887,
AS-34280,
CS-0050707,
Q-3412,
Z2737790489,
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.5]octane-2-carboxylic acid,
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| Complexity | 374 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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