| CAS Number | 1367774-02-4 |
| Catalog Number | AG00HUOV(AGN-PC-0WG3TS) |
| Chemical Name | 2-(1-[(TERT-BUTOXY)CARBONYL]-3-HYDROXYPIPERIDIN-3-YL)ACETIC ACID |
| IUPAC Name | 2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid |
| InChI | InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-4-5-12(17,8-13)7-9(14)15/h17H,4-8H2,1-3H3,(H,14,15) |
| InChI Key | YMXWYGOCCMEURX-UHFFFAOYSA-N |
| MDL Number | MFCD22033346 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | OC(=O)CC1(O)CCCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1367774-02-4,
2-(1-[(tert-Butoxy)carbonyl]-3-hydroxypiperidin-3-yl)acetic acid,
2-(1-(tert-Butoxycarbonyl)-3-hydroxypiperidin-3-yl)acetic acid,
2-{1-[(tert-butoxy)carbonyl]-3-hydroxypiperidin-3-yl}acetic acid,
MFCD22033346,
AKOS022675832,
CS-0035603,
Z2719322942,
2-[3-Hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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