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6-Methyl-L-tryptophan

CAT: 0926-IBA46834-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-IBA46834-01Size:25 mg
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CAS Number
33468-34-7
MDL Number
MFCD06797708
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-Methyltryptophan

See also: 6-Methyl-DL-tryptophan (annotation moved to).

CAS Number33468-34-7
PubChem CID164910
IUPAC Name(2S)-2-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)C[C@@H](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)/t10-/m0/s1
InChIKey
GDMRVYIFGPMUCG-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of 6-Methyltryptophan
CAS: 33468-34-7
CID: 164910
Formula: C12H14N2O2
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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