| CAS Number | 2097944-52-8 |
| Catalog Number | AG01DW7Q |
| Chemical Name | 2-((tert-Butoxycarbonyl)amino)-2-(3,3-difluorocyclobutyl)acetic acid |
| IUPAC Name | 2-(3,3-difluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-7(8(15)16)6-4-11(12,13)5-6/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | BEYXDNVWKXTSEO-UHFFFAOYSA-N |
| MDL Number | MFCD30002868 |
| Molecular Formula | C11H17F2NO4 |
| Molecular Weight | 265.2538 |
| SMILES | O=C(O)C(NC(OC(C)(C)C)=O)C1CC(F)(F)C1 |
| Synonyms | 2-((tert-butoxycarbonyl)amino)-2-(3,3-difluorocyclobutyl)acetic acid,
2097944-52-8,
(R)-2-((tert-Butoxycarbonyl)amino)-2-(3,3-difluorocyclobutyl)acetic acid,
(S)-2-((tert-Butoxycarbonyl)amino)-2-(3,3-difluorocyclobutyl)acetic acid,
(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-(3,3-difluorocyclobutyl)acetic acid,
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(3,3-difluorocyclobutyl)acetic acid,
AKOS026717005,
F2147-4316,
N/A,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.257g/mol |
| Monoisotopic Mass | 265.113g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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