(R)-2,2-Dimethylcyclopropanecarboxylic Acid - CAS 28624-52-4

Catalog:	BB068468
Product Name:	(R)-2,2-Dimethylcyclopropanecarboxylic Acid
CAS:	28624-52-4
Synonyms:	(1R)-2,2-Dimethylcyclopropanecarboxylic Acid; (-)-2,2-Dimethylcyclopropanecarboxylic Acid

Technical Data

IUPAC Name:	(1R)-2,2-dimethylcyclopropane-1-carboxylic acid
Description:	(R)-2,2-Dimethylcyclopropanecarboxylic Acid is an intermediate in the synthesis of (R,R)-Cilastatin (C441120), which is a derivative of Cilastatin (C441100), prevents renal metabolism of penem and carbapenem antibiotics by specific and reversible dehydropeptidase I inhibition. Antibacterial adjunct.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	CC1(CC1C(=O)O)C
InChI:	InChI=1S/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChI Key:	BFNMOMYTTGHNGJ-BYPYZUCNSA-N
Solubility:	Chloroform (Sparingly), Methanol (Slightly), Water (Sparingly)
Appearance:	Colourless Oil
Storage:	-20°C, Inert atmosphere
References:	Finlay, K.R., et al. Invest. Ophthalmol. Visual Sci., 24, 1147 (1983), Norrby, S.R., et al. Antimicrob. Agents Chemother., 23, 300 (1983), Washburn, D.E., et al. J. Antimicrob. Chemother., 12, 39 (1983),.

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1