| CAS Number | 856417-72-6 |
| Catalog Number | AG01EKV3(AGN-PC-0V1KZ6) |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-2-(1-hydroxycyclohexyl)acetic acid |
| IUPAC Name | 2-(1-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-9(10(15)16)13(18)7-5-4-6-8-13/h9,18H,4-8H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | IZSVJQVMRJYFPC-UHFFFAOYSA-N |
| MDL Number | MFCD31666432 |
| Molecular Formula | C13H23NO5 |
| Molecular Weight | 273.3254 |
| SMILES | CC(OC(NC(C1(CCCCC1)O)C(O)=O)=O)(C)C |
| Synonyms | SCHEMBL3450579,
2-{[(tert-butoxy)carbonyl]amino}-2-(1-hydroxycyclohexyl)acetic acid,
856417-72-6,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.329g/mol |
| Monoisotopic Mass | 273.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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