| CAS Number | 53708-63-7 |
| Catalog Number | AG01AKII(AGN-PC-0SFUSP) |
| Chemical Name | (2S)-2-Amino-3-(1H-indol-3-yl)-N-methylpropanamide |
| IUPAC Name | (2S)-2-amino-3-(1H-indol-3-yl)-N-methylpropanamide |
| InChI | InChI=1S/C12H15N3O/c1-14-12(16)10(13)6-8-7-15-11-5-3-2-4-9(8)11/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t10-/m0/s1 |
| InChI Key | YCTBLMQFTMPXBD-JTQLQIEISA-N |
| MDL Number | MFCD14590225 |
| Molecular Formula | C12H15N3O |
| Molecular Weight | 217.2670 |
| SMILES | O=C(NC)[C@@H](N)CC1=CNC2=C1C=CC=C2 |
| Synonyms | (2S)-2-amino-3-(1H-indol-3-yl)-N-methylpropanamide,
53708-63-7,
L-Trp-NHMe,
tryptophan methylamide,
L-tryptophan methylamide,
N-Methyl-L-tryptophanamide,
SCHEMBL631048,
YCTBLMQFTMPXBD-JTQLQIEISA-N,
1H-Indole-3-propanamide, alpha-amino-N-methyl-, (alphaS)-,
ZINC34307123,
NE26186,
EN300-84212,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.272g/mol |
| Monoisotopic Mass | 217.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number