[2-(5-Cyano-1H-indol-3-yl)ethyl]-1,1-dimethylethyl Ester Carbamic Acid - CAS 144035-34-7

Catalog:	BB055592
Product Name:	[2-(5-Cyano-1H-indol-3-yl)ethyl]-1,1-dimethylethyl Ester Carbamic Acid
CAS:	144035-34-7
Synonyms:	tert-Butyl (2-(5-cyano-1H-indol-3-yl)ethyl)carbamate; [2-(5-Cyano-1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester; Tert-butyl N-[2-(5-cyano-1H-indol-3-yl)ethyl]carbamate; N-t-Butoxycarbonyl-2-(5-cyano-1H-indol-3-yl)ethylamine

Technical Data

IUPAC Name:	tert-butyl N-[2-(5-cyano-1H-indol-3-yl)ethyl]carbamate
Description:	[2-(5-Cyano-1H-indol-3-yl)ethyl]-1,1-dimethylethyl Ester Carbamic Acid is an intermediate in the synthesis of 5-Carboxamidotryptamine maleate (C338945), an agonist of the 5-HT1 receptors.
Molecular Weight:	285.35
Molecular Formula:	C16H19N3O2
Canonical SMILES:	CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)C#N
InChI:	InChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)18-7-6-12-10-19-14-5-4-11(9-17)8-13(12)14/h4-5,8,10,19H,6-7H2,1-3H3,(H,18,20)
InChI Key:	ZQPAILDMANGQJU-UHFFFAOYSA-N
References:	Garcia-Pedraza, J. A., et al. Sci. Rep., 10, 19358 (2020).

Complexity:	421
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.147726857
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	285.147726857
Rotatable Bond Count:	5
Topological Polar Surface Area:	77.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9