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α-Methyl-L-tryptophan

CAT: 0024-sc-208508ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-208508ASize:100 mg
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CAS Number
16709-25-4

Chemical Information

alpha-Methyl-L-tryptophan

Alpha-methyltryptophan is a tryptophan derivative.

CAS Number16709-25-4
PubChem CID676155
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid
Molecular FormulaC12H14N2O2
Molecular Weight218.25
XLogP-0.9
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity282
SMILES
C[C@](CC1=CNC2=CC=CC=C21)(C(=O)O)N
InChI
InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey
ZTTWHZHBPDYSQB-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of alpha-Methyl-L-tryptophan
CAS: 16709-25-4
CID: 676155
Formula: C12H14N2O2
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.25
XLogP3-0.9
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
Complexity282
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