| CAS Number | 1695082-42-8 |
| Catalog Number | AG01C2HD |
| Chemical Name | 2-(4-((tert-butoxycarbonyl)amino)piperidin-4-yl)acetic acid |
| IUPAC Name | 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetic acid |
| InChI | InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-12(8-9(15)16)4-6-13-7-5-12/h13H,4-8H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | ACPIGFWOZJZBNC-UHFFFAOYSA-N |
| MDL Number | MFCD29054995 |
| Molecular Formula | C12H22N2O4 |
| Molecular Weight | 258.3141 |
| SMILES | CC(C)(C)OC(=O)NC1(CCNCC1)CC(=O)O |
| Synonyms | 1695082-42-8,
4-(Boc-amino)-4-piperidineacetic acid,
ZINC299805158,
2-(4-((tert-butoxycarbonyl)amino)piperidin-4-yl)acetic acid,
2-(4-{[(tert-butoxy)carbonyl]amino}piperidin-4-yl)acetic acid,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.318g/mol |
| Monoisotopic Mass | 258.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
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