N-[(2-Chloro-6-nitrophenyl)methyl]glycine Ethyl Ester - CAS 50608-25-8

Catalog:	BB062432
Product Name:	N-[(2-Chloro-6-nitrophenyl)methyl]glycine Ethyl Ester
CAS:	50608-25-8
Synonyms:	2-[(2-Chloro-6-nitrobenzyl)amino]acetic Acid Ethyl Ester

Technical Data

IUPAC Name:	ethyl 2-[(2-chloro-6-nitrophenyl)methylamino]acetate
Description:	N-[(2-Chloro-6-nitrophenyl)methyl]glycine Ethyl Ester is used as a reactant in the synthesis of oxoquinazoline and dioxobenzothiadiazine hydroxyacetamide derivatives as selective peptide deformylase inhibitors.
Molecular Weight:	272.68
Molecular Formula:	C11H13ClN2O4
Canonical SMILES:	CCOC(=O)CNCC1=C(C=CC=C1Cl)[N+](=O)[O-]
InChI:	InChI=1S/C11H13ClN2O4/c1-2-18-11(15)7-13-6-8-9(12)4-3-5-10(8)14(16)17/h3-5,13H,2,6-7H2,1H3
InChI Key:	NFLSJYYIIHHOLS-UHFFFAOYSA-N
References:	Apfel, C., et. al. J. Med. Chem., 44, 1847 (2001).

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.0563846
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.0563846
Rotatable Bond Count:	6
Topological Polar Surface Area:	84.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2