| CAS Number | 1363381-67-2 |
| Catalog Number | AG0011PL(AGN-PC-0WCKAN) |
| Chemical Name | 5-Azaspiro[3.4]octane-2,5-dicarboxylic acid, 5-(1,1-dimethylethyl) ester |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(14)7-9(8-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | JPRDSXJTSHIDCU-UHFFFAOYSA-N |
| MDL Number | MFCD22566150 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(C1CC2(N(C(OC(C)(C)C)=O)CCC2)C1)O |
| Synonyms | 1363381-67-2,
5-(tert-butoxycarbonyl)-5-azaspiro[3.4]octane-2-carboxylic acid,
5-BOC-5-AZA-SPIRO[3.4]OCTANE-2-CARBOXYLIC ACID,
5-[(tert-butoxy)carbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid,
KS-000006WP,
MFCD22566150,
ZINC95742937,
AKOS025290088,
FCH2891640,
PB35570,
SB20098,
AK172187,
AS-39953,
OR312318,
CS-0050706,
Q-4618,
5-Boc-5-azaspiro[3.4]octane-2-carboxylic acid,
R189,
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| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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