| CAS Number | 99295-79-1 |
| Catalog Number | AG006ON7(AGN-PC-0OP3RQ) |
| Chemical Name | (R)-2-Amino-3-(5-methyl-1H-indol-3-yl)propanoic acid |
| IUPAC Name | (2R)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m1/s1 |
| InChI Key | HUNCSWANZMJLPM-SNVBAGLBSA-N |
| MDL Number | MFCD09841957 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | O=C(O)[C@H](N)CC1=CNC2=C1C=C(C)C=C2 |
| Synonyms | 5-methyl-D-tryptophan,
99295-79-1,
(R)-2-Amino-3-(5-methyl-1H-indol-3-yl)propanoic acid,
AK167448,
AC1LGXGI,
D-Tryptophan, 5-methyl-,
SCHEMBL7614399,
CHEBI:52525,
CTK3I6302,
KS-00000KWY,
DTXSID40357429,
ZINC391257,
MFCD09841957,
AKOS025287279,
CS-W000583,
AS-41984,
(R)-5-Methyl-alpha-amino-1H-indole-3-propanoic acid,
(2R)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid,
5-Methyltryptophan,
CID853443,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number