| CAS Number | 1823515-64-5 |
| Catalog Number | AG00I19T(AGN-PC-0WQXVN) |
| Chemical Name | 6-((tert-butoxycarbonyl)amino)-2-oxaspiro[3.3]heptane-6-carboxylic acid |
| IUPAC Name | 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxaspiro[3.3]heptane-6-carboxylic acid |
| InChI | InChI=1S/C12H19NO5/c1-10(2,3)18-9(16)13-12(8(14)15)4-11(5-12)6-17-7-11/h4-7H2,1-3H3,(H,13,16)(H,14,15) |
| InChI Key | LAONOQFUIMNWIL-UHFFFAOYSA-N |
| MDL Number | MFCD27991856 |
| Molecular Formula | C12H19NO5 |
| Molecular Weight | 257.2830 |
| SMILES | CC(C)(C)OC(=O)NC1(CC2(COC2)C1)C(O)=O |
| Synonyms | 6-((TERT-BUTOXYCARBONYL)AMINO)-2-OXASPIRO[3.3]HEPTANE-6-CARBOXYLIC ACID,
1823515-64-5,
MFCD27991856,
ZINC97758484,
AKOS026717042,
AS-42836,
F2147-4364,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.286g/mol |
| Monoisotopic Mass | 257.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number