1-Methyl-L-tryptophan

CAT: 1407-AB2202Size: 20 mgDry Ice: NoHazardous: No

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CAT#:1407-AB2202Size:20 mg

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CAS Number

21339-55-9

Purity

98% (HPLC)

Molecular Formula

C12H14N2O2

Molecular Weight

218.25

Chemical Information

1-Methyl-L-tryptophan

1-methyl-L-tryptophan is an indolyl carboxylic acid.

CAS Number	21339-55-9
PubChem CID	676159
IUPAC Name	(2S)-2-amino-3-(1-methylindol-3-yl)propanoic acid
Molecular Formula	C12H14N2O2
Molecular Weight	218.25
XLogP	-1.3
Topological Polar Surface Area	68.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	270

SMILES

CN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1

InChIKey

ZADWXFSZEAPBJS-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 21339-55-9

CID: 676159

Formula: C12H14N2O2

MW: 218.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.25
XLogP3	-1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	218.105527694
Monoisotopic Mass	218.105527694
Topological Polar Surface Area	68.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	270
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AB0307	L-Tryptophan
AB2124	5-Hydroxy-L-tryptophan
AB2194	DL-Tryptophan
AB1554	Boc-D-Tryptophan
AB2823	1-Methyl Emodin
AB3434	N-Methyl-1-deoxynojirimycin
AB1216	Alizarin 1-methyl ether
AB0292	Rubiadin 1-methyl ether
AB0384	Pennogenin-3-O-α-L-rhamnopyranosyl- (1→4) -[α-L-rhamnopyranosyl- (1→2) ]-β-D-glucopyranoside
AB2822	2-hydroxyl emodin-1-methyl ether