| CAS Number | 1268519-54-5 |
| Catalog Number | AG000TCW(AGN-PC-0WNGUT) |
| Chemical Name | 5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-7-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-8(9(14)15)12(7-13)4-5-12/h8H,4-7H2,1-3H3,(H,14,15) |
| InChI Key | XDFSKDGVRVJWGF-UHFFFAOYSA-N |
| MDL Number | MFCD18633038 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | O=C(C1CN(C(OC(C)(C)C)=O)CC21CC2)O |
| Synonyms | 1268519-54-5,
5-[(Tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid,
5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-7-carboxylic acid,
5-Aza-spiro[2.4]heptane-5,7-dicarboxylic acid 5-tert-butyl ester,
3064AJ,
MFCD18633038,
AKOS026716496,
ACN-047792,
SB17555,
KS-0000065G,
AS-53123,
CS-0050708,
5-Boc-5-azaspiro[2.4]heptane-7-carboxylic acid,
F2147-3522,
Z1505694347,
5-[(t-Butoxy)carbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid,
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid,
C12H19NO4,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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