| CAS Number | 1778734-52-3 |
| Catalog Number | AG00J2UK(AGN-PC-0WRAR4) |
| Chemical Name | 1-(tert-Butoxycarbonyl)-3-(hydroxymethyl)azetidine-3-carboxylic acid |
| IUPAC Name | 3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid |
| InChI | InChI=1S/C10H17NO5/c1-9(2,3)16-8(15)11-4-10(5-11,6-12)7(13)14/h12H,4-6H2,1-3H3,(H,13,14) |
| InChI Key | CUNYFDNZNOYYMD-UHFFFAOYSA-N |
| MDL Number | MFCD22397226 |
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.2457 |
| SMILES | O=C(N1CC(C(O)=O)(CO)C1)OC(C)(C)C |
| Synonyms | 1778734-52-3,
1-(TERT-BUTOXYCARBONYL)-3-(HYDROXYMETHYL)AZETIDINE-3-CARBOXYLIC ACID,
MFCD22397226,
AKOS030631202,
ZINC215644047,
1-(t-Butoxycarbonyl)-3-(hydroxymethyl)-3-azetidinecarboxylic acid,
1-(tert-butoxycarbonyl)-3-(hydroxymethyl)-3-azetidinecarboxylic acid,
1-[(tert-butoxy)carbonyl]-3-(hydroxymethyl)azetidine-3-carboxylic acid,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.248g/mol |
| Monoisotopic Mass | 231.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number