| CAS Number | 1803593-59-0 |
| Catalog Number | AG01BFHR |
| Chemical Name | 2-(4-{[(tert-butoxy)carbonyl]amino}piperidin-1-yl)acetic acid hydrate |
| IUPAC Name | 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid;hydrate |
| InChI | InChI=1S/C12H22N2O4.H2O/c1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)8-10(15)16;/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16);1H2 |
| InChI Key | LZUSXJNWZMBMHV-UHFFFAOYSA-N |
| MDL Number | MFCD28118601 |
| Molecular Formula | C12H24N2O5 |
| Molecular Weight | 276.3294 |
| SMILES | O.CC(OC(NC1CCN(CC(O)=O)CC1)=O)(C)C |
| Synonyms | 2-(4-{[(tert-butoxy)carbonyl]amino}piperidin-1-yl)acetic acid hydrate,
1803593-59-0,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.333g/mol |
| Monoisotopic Mass | 276.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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