| CAS Number | 895126-65-5 |
| Catalog Number | AG01A4X8(AGN-PC-0VP4XR) |
| Chemical Name | 3-({1-[(tert-butoxy)carbonyl]azetidin-3-yl}oxy)propanoic acid |
| IUPAC Name | 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid |
| InChI | InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-8(7-12)16-5-4-9(13)14/h8H,4-7H2,1-3H3,(H,13,14) |
| InChI Key | XDDIYUUNSUWZJX-UHFFFAOYSA-N |
| MDL Number | MFCD20261082 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | CC(OC(N1CC(OCCC(O)=O)C1)=O)(C)C |
| Synonyms | 3-({1-[(tert-butoxy)carbonyl]azetidin-3-yl}oxy)propanoic acid,
895126-65-5,
SCHEMBL1721178,
XDDIYUUNSUWZJX-UHFFFAOYSA-N,
ZINC95218303,
AKOS023805115,
MCULE-7067906266,
NE43214,
Z1603826923,
3-(2-Carboxyethoxy)azetidine-1-carboxylic acid tert-butyl ester,
1-boc-3-(2-carboxyethoxy)-azetidine,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number