| CAS Number | 1536183-80-8 |
| Catalog Number | AG01AD4T(AGN-PC-0WO481) |
| Chemical Name | 2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}propanoic acid |
| IUPAC Name | 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid |
| InChI | InChI=1S/C11H19NO4/c1-7(9(13)14)8-5-12(6-8)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14) |
| InChI Key | XKKBEUZFWAVZFQ-UHFFFAOYSA-N |
| MDL Number | MFCD26936255 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | CC(C(O)=O)C1CN(C(OC(C)(C)C)=O)C1 |
| Synonyms | 2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}propanoic acid,
1536183-80-8,
SCHEMBL12179693,
AKOS022931151,
MCULE-8640162634,
NE27034,
Z1723418863,
|
| Complexity | 289 |
| 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 | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number