| CAS Number | 1375471-83-2 |
| Catalog Number | AG019G3S(AGN-PC-0WO1TE) |
| Chemical Name | 2-(8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]octan-3-yl)acetic acid |
| IUPAC Name | 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid |
| InChI | InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-10-4-5-11(15)7-9(6-10)8-12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17) |
| InChI Key | HMKCWYNKAMRVGY-UHFFFAOYSA-N |
| MDL Number | MFCD21602700 |
| Molecular Formula | C14H23NO4 |
| Molecular Weight | 269.3367 |
| SMILES | O=C(O)CC1CC(N2C(OC(C)(C)C)=O)CCC2C1 |
| Synonyms | 1375471-83-2,
2-{8-[(tert-butoxy)carbonyl]-8-azabicyclo[3.2.1]octan-3-yl}acetic acid,
2-(8-(tert-butoxycarbonyl)-8-aza-bicyclo[3.2.1]octan-3-yl)acetic acid,
2-(8-(tert-butoxycarbonyl)-8-azabicyclo[3.2.1]octan-3-yl)acetic acid,
SCHEMBL7904414,
AKOS017547408,
MCULE-2327397087,
NE16751,
2-(8-Boc-8-azabicyclo[3.2.1]octan-3-yl)acetic acid,
Z1333761724,
2-(8-(tert-butoxycarbonyl)-8-aza-bicyclo[3.2.1]octan-3-yl)aceticacid-B28366,
N/A,
944125-54-6,
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| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.341g/mol |
| Monoisotopic Mass | 269.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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