| CAS Number | 251643-18-2 |
| Catalog Number | AG00I4ST(AGN-PC-0I9FNJ) |
| Chemical Name | 2-(4-(tert-Butoxycarbonyl(methyl)amino) phenyl)acetic acid |
| IUPAC Name | 2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid |
| InChI | InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15(4)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17) |
| InChI Key | JTSDHUGTLYSYLS-UHFFFAOYSA-N |
| MDL Number | MFCD14636446 |
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.3050 |
| SMILES | CN(C(=O)OC(C)(C)C)C1=CC=C(CC(O)=O)C=C1 |
| Synonyms | 251643-18-2,
2-(4-(tert-Butoxycarbonyl(methyl)amino) phenyl)acetic acid,
2-(4-((tert-Butoxycarbonyl)(methyl)amino)phenyl)acetic acid,
SCHEMBL4615305,
JTSDHUGTLYSYLS-UHFFFAOYSA-N,
MFCD14636446,
ZINC138798386,
AS-44891,
[4-(tert-butoxycarbonyl-methyl-amino)-phenyl]-acetic acid,
CID10730397,
2-(4-(tert-Butoxycarbonyl(methyl)amino)phenyl)acetic acid,
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic Acid,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.309g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number