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6-Methyl-DL-tryptophan

CAT: 0926-FM52321-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FM52321-01Size:0.5 g
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CAS Number
2280-85-5
Synonyms
DL-2-Amino-3- (6-methylindolyl) propionic acid
MDL Number
MFCD00022772
Smiles
CC1=CC2=C (C=C1) C (=CN2) CC (C (=O) O) N
Molecular Formula
C12H14N2O2
Molecular Weight
218.25 g/mol
Controlled
No

Chemical Information

6-Methyl-DL-tryptophan

D,L-6-methyltryptophan has been reported in Aspergillus fumigatus with data available.

CAS Number2280-85-5
PubChem CID95319
IUPAC Name2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid
Molecular FormulaC12H14N2O2
Molecular Weight218.25
XLogP-0.7
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity270
SMILES
CC1=CC2=C(C=C1)C(=CN2)CC(C(=O)O)N
InChI
InChI=1S/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)
InChIKey
GDMRVYIFGPMUCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-DL-tryptophan
CAS: 2280-85-5
CID: 95319
Formula: C12H14N2O2
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.25
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass218.105527694
Monoisotopic Mass218.105527694
Topological Polar Surface Area79.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes