N-(2,2,2-Trifluoroacetyl)-L-tryptophan Methyl Ester - CAS 1604-49-5

Catalog:	BB057252
Product Name:	N-(2,2,2-Trifluoroacetyl)-L-tryptophan Methyl Ester
CAS:	1604-49-5
Synonyms:	N-(Trifluoroacetyl)-L-tryptophan Methyl Ester

Technical Data

IUPAC Name:	methyl (2S)-3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Description:	N-(2,2,2-Trifluoroacetyl)-L-tryptophan Methyl Ester is an intermediate in the synthesis of tryptophan-containing peptides.
Molecular Weight:	314.26
Molecular Formula:	C14H13F3N2O3
Canonical SMILES:	COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(F)(F)F
InChI:	InChI=1S/C14H13F3N2O3/c1-22-12(20)11(19-13(21)14(15,16)17)6-8-7-18-10-5-3-2-4-9(8)10/h2-5,7,11,18H,6H2,1H3,(H,19,21)/t11-/m0/s1
InChI Key:	FRCDVDBVNOWDDM-NSHDSACASA-N
Melting Point:	101-104°C
Solubility:	Chloroform (Slightly)
Appearance:	White to Light Yellow Solid
Storage:	-20°C Freezer
References:	REay, A, J., et al. Org. Biomolec. Chem., 13, 8298 (2015).

Complexity:	428
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	314.08782677
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	314.08782677
Rotatable Bond Count:	5
Topological Polar Surface Area:	71.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5