| CAS Number | 2059954-20-8 |
| Catalog Number | AG01C0DA |
| Chemical Name | 3-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}prop-2-ynoic acid |
| IUPAC Name | 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]prop-2-ynoic acid |
| InChI | InChI=1S/C11H15NO4/c1-11(2,3)16-10(15)12-6-8(7-12)4-5-9(13)14/h8H,6-7H2,1-3H3,(H,13,14) |
| InChI Key | YTPVBUWQMPFOFN-UHFFFAOYSA-N |
| MDL Number | MFCD30535670 |
| Molecular Formula | C11H15NO4 |
| Molecular Weight | 225.2411 |
| SMILES | CC(OC(N1CC(C#CC(O)=O)C1)=O)(C)C |
| Synonyms | 3-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}prop-2-ynoic acid,
2059954-20-8,
ZINC584880017,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.244g/mol |
| Monoisotopic Mass | 225.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number