| CAS Number | 1620842-88-7 |
| Catalog Number | AG01BGD3 |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid |
| IUPAC Name | 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-11(4,5)7(12)8(13)14/h7H,6H2,1-5H3,(H,13,14) |
| InChI Key | CZHREJZYTWIJKW-UHFFFAOYSA-N |
| MDL Number | MFCD24533758 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | CC(OC(N1C(C(O)=O)C(C)(C)C1)=O)(C)C |
| Synonyms | 1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid,
1620842-88-7,
(2S)-1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid,
1932195-22-6,
(2R)-1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid,
2165940-24-7,
AKOS025148520,
CS-0079041,
Z2168541816,
1-(tert-Butoxycarbonyl)-3,3-dimethylazetidine-2-carboxylic acid,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number