| CAS Number | 1822562-98-0 |
| Catalog Number | AG01EKAU |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid |
| IUPAC Name | 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid |
| InChI | InChI=1S/C10H17NO4/c1-6-5-11(7(6)8(12)13)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13) |
| InChI Key | CWCHGLNUHDOFHF-UHFFFAOYSA-N |
| MDL Number | MFCD24533403 |
| Molecular Formula | C10H17NO4 |
| Molecular Weight | 215.2463 |
| SMILES | O=C(C1N(C(OC(C)(C)C)=O)CC1C)O |
| Synonyms | (2R,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid,
(2S,3R)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid,
(2S,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid,
1277097-48-9,
1620842-86-5,
1932219-81-2,
SCHEMBL1948729,
1-[(TERT-BUTOXY)CARBONYL]-3-METHYLAZETIDINE-2-CARBOXYLIC ACID,
1822562-98-0,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.249g/mol |
| Monoisotopic Mass | 215.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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