| CAS Number | 33019-85-1 |
| Catalog Number | AG00C91P(AGN-PC-0O8Z9O) |
| Chemical Name | (2S)-2-(2,2-Dimethylpropanamido)-3-(4-hydroxyphenyl)propanoic acid |
| IUPAC Name | (2S)-2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoic acid |
| InChI | InChI=1S/C14H19NO4/c1-14(2,3)13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1 |
| InChI Key | SUQCHHVYBPOPTR-NSHDSACASA-N |
| MDL Number | MFCD16378367 |
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.3050 |
| SMILES | [C@@H](CC1=CC=C(O)C=C1)(NC(C(C)(C)C)=O)C(O)=O |
| Synonyms | 33019-85-1,
N-(2,2-Dimethyl-1-oxopropyl)-L-tyrosine,
N-(2,2-Dimethylpropanoyl)-L-tyrosine,
N-Pivaloyl-L-tyrosine,
SCHEMBL2550705,
DTXSID70652010,
ZINC21953753,
AKOS006042976,
FT-0673959,
N-PIVALOYL-L-,
ACN-033696,
L-Tyrosine, N-(2,2-dimethyl-1-oxopropyl)-,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.309g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number