| CAS Number | 65160-71-6 |
| Catalog Number | AG00IBGP(AGN-PC-0OF3LG) |
| Chemical Name | Ac-d-tyr-ome |
| IUPAC Name | methyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate |
| InChI | InChI=1S/C12H15NO4/c1-8(14)13-11(12(16)17-2)7-9-3-5-10(15)6-4-9/h3-6,11,15H,7H2,1-2H3,(H,13,14)/t11-/m1/s1 |
| InChI Key | KRMVXLWZDYZILN-LLVKDONJSA-N |
| MDL Number | MFCD01632092 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.2518 |
| SMILES | COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C |
| Synonyms | AC-D-TYR-OME,
methyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate,
65160-71-6,
AC1LF00G,
SCHEMBL2522737,
N-Acetyl-D-tyrosine methyl ester,
KRMVXLWZDYZILN-LLVKDONJSA-N,
ZINC122441,
KM5606,
MFCD01632092,
methyl(2r)-2-acetamido-3-(4-hydroxyphenyl)propanoate,
CID720751,
ZINC00122441,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.255g/mol |
| Monoisotopic Mass | 237.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number