(1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester - CAS 227783-08-6

Catalog:	BB068994
Product Name:	(1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester
CAS:	227783-08-6
Synonyms:	(1R,3S)-1,3-Cyclohexanedicarboxylic Acid Monoethyl Ester; (1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylic Acid

Technical Data

IUPAC Name:	(1S,3R)-3-ethoxycarbonylcyclohexane-1-carboxylic acid
Description:	(1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester is used in the synthesis of potent and selective inhibitors of Candida albicans N-myristoyltransferase.
Molecular Weight:	200.23
Molecular Formula:	C10H16O4
Canonical SMILES:	CCOC(=O)C1CCCC(C1)C(=O)O
InChI:	InChI=1S/C10H16O4/c1-2-14-10(13)8-5-3-4-7(6-8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8+/m0/s1
InChI Key:	WFXPHQCHMAPWEB-JGVFFNPUSA-N
References:	Yamazaki, K., et al. BIoorg. Med. Chem., 13, 2509 (2005); Boaz, N.W., et al. Tetrahedron. Asym., 10, 813 (1999).

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	200.10485899
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.10485899
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4