| CAS Number | 2126163-37-7 |
| Catalog Number | AG01E7H3 |
| Chemical Name | 2-[4-(3-{[(tert-butoxy)carbonyl]amino}propyl)phenoxy]acetic acid |
| IUPAC Name | 2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenoxy]acetic acid |
| InChI | InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-10-4-5-12-6-8-13(9-7-12)21-11-14(18)19/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19) |
| InChI Key | YOJZCQCNBHNKOS-UHFFFAOYSA-N |
| MDL Number | MFCD31381040 |
| Molecular Formula | C16H23NO5 |
| Molecular Weight | 309.3575 |
| SMILES | CC(OC(NCCCC1=CC=C(OCC(O)=O)C=C1)=O)(C)C |
| Synonyms | 2-[4-[3-(Boc-amino)propyl]phenoxy]acetic acid,
2126163-37-7,
SCHEMBL3174253,
AKOS034065817,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.362g/mol |
| Monoisotopic Mass | 309.158g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number