N-Methyl-D-tryptophan Methyl Ester - CAS 131831-87-3

Catalog:	BB075823
Product Name:	N-Methyl-D-tryptophan Methyl Ester
CAS:	131831-87-3
Synonyms:	N-Methyl-D-tryptophan Methyl Ester; (R)-Methyl 3-(1H-indol-3-yl)-2-(methylamino)propanoate; methyl (2R)-3-(1H-indol-3-yl)-2-(methylamino)propanoate; MeDTrpOMe; (R)-Methyl3-(1H-indol-3-yl)-2-(methylamino)propanoate

Technical Data

IUPAC Name:	methyl (2R)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
Description:	N-Methyl-D-tryptophan Methyl Ester is an intermediate in the synthesis of Jasplakinolide (J210700), an potent inhibitor of prostrate and breast carcinoma cell proliferation.
Molecular Weight:	232.28
Molecular Formula:	C13H16N2O2
Canonical SMILES:	CNC(CC1=CNC2=CC=CC=C21)C(=O)OC
InChI:	InChI=1S/C13H16N2O2/c1-14-12(13(16)17-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,12,14-15H,7H2,1-2H3/t12-/m1/s1
InChI Key:	RZRWZNRJBFLXSC-GFCCVEGCSA-N
Solubility:	Acetone, Chloroform, DCM, Ethyl Acetate, Methanol
Appearance:	Pale Yellow Oil
References:	Chu, K. S., et al. J. Org. Chem., 56, 5196 (1991).

Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	232.121177757
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.121177757
Rotatable Bond Count:	5
Topological Polar Surface Area:	54.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1