| CAS Number | 140852-06-8 |
| Catalog Number | AG01FSLO(AGN-PC-0O22K5) |
| Chemical Name | 2-Me-D-Trp-OH |
| IUPAC Name | (2R)-2-amino-3-(2-methyl-1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)/t10-/m1/s1 |
| InChI Key | BXJSOEWOQDVGJW-SNVBAGLBSA-N |
| MDL Number | MFCD17214441 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | O=C(O)[C@H](N)CC1=C(C)NC2=C1C=CC=C2 |
| UNII | 4BEJ1O74EQ |
| Synonyms | 2-Me-D-Trp-OH,
140852-06-8,
UNII-4BEJ1O74EQ,
4BEJ1O74EQ,
2-methyl-d-tryptophan,
D-Tryptophan, 2-methyl-,
SCHEMBL4586167,
ZINC5749093,
DS-20215,
UNII-UQH08U4QVS component BXJSOEWOQDVGJW-SNVBAGLBSA-N,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.105528g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.25g/mol |
| Monoisotopic Mass | 218.105528g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number