| CAS Number | 2138230-26-7 |
| Catalog Number | AG01EKTS |
| Chemical Name | 3-({[(tert-butoxy)carbonyl]amino}methyl)oxetane-3-carboxylic acid |
| IUPAC Name | 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-3-carboxylic acid |
| InChI | InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-4-10(7(12)13)5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13) |
| InChI Key | ONMGTCLLGPXBQT-UHFFFAOYSA-N |
| MDL Number | MFCD31591877 |
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.2457 |
| SMILES | CC(OC(NCC1(C(O)=O)COC1)=O)(C)C |
| Synonyms | 3-({[(tert-butoxy)carbonyl]amino}methyl)oxetane-3-carboxylic acid,
2138230-26-7,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.248g/mol |
| Monoisotopic Mass | 231.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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