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4-Methyl-DL-tryptophan

CAT: 0572-TRC-M224585-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M224585-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1954-45-6
Hazard Statement
No Data Available
Smiles
Cc1cccc2[nH]cc(CC(N)C(=O)O)c12
Molecular Formula
C12 H14 N2 O2
Molecular Weight
218.252
InChI
InChI=1S/C12H14N2O2/c1-7-3-2-4-10-11(7)8(6-14-10)5-9(13)12(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16)
Additionnal Information
IUPAC name: 2-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
Shipping Conditions
Room Temperature

Chemical Information

4-methyl-DL-tryptophan

4-Methyl-DL-tryptophan has been reported in Aspergillus fumigatus with data available.

CAS Number1954-45-6
PubChem CID96374
IUPAC Name2-amino-3-(4-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=C2C(=CC=C1)NC=C2CC(C(=O)O)N
InChI
InChI=1S/C12H14N2O2/c1-7-3-2-4-10-11(7)8(6-14-10)5-9(13)12(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16)
InChIKey
FPJGLSZLQLNZIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methyl-DL-tryptophan
CAS: 1954-45-6
CID: 96374
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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