| CAS Number | 1404877-92-4 |
| Catalog Number | AG01EKF8 |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-2-(4-ethoxyphenyl)acetic acid |
| IUPAC Name | 2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C15H21NO5/c1-5-20-11-8-6-10(7-9-11)12(13(17)18)16-14(19)21-15(2,3)4/h6-9,12H,5H2,1-4H3,(H,16,19)(H,17,18) |
| InChI Key | BEDGGMAQIUFUCP-UHFFFAOYSA-N |
| MDL Number | MFCD07388835 |
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.3309 |
| SMILES | CCOC1=CC=C(C(C(O)=O)NC(OC(C)(C)C)=O)C=C1 |
| Synonyms | SCHEMBL3377050,
AKOS013465163,
1404877-92-4,
2-{[(tert-butoxy)carbonyl]amino}-2-(4-ethoxyphenyl)acetic acid,
boc--amino-(4-ethoxyphenyl)acetic acid,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.335g/mol |
| Monoisotopic Mass | 295.142g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number