2,3-Dimethyl-3-butenamide - CAS 89530-95-0

Catalog:	BB068313
Product Name:	2,3-Dimethyl-3-butenamide
CAS:	89530-95-0
Synonyms:	2,3-dimethyl-but-3-enoic acid amide; 2,3-dimethylbut-3-enamide; 2,3-Dimethyl-3-butenamide

Technical Data

IUPAC Name:	2,3-dimethylbut-3-enamide
Description:	2,3-Dimethyl-3-butenamide is an intermediate in the synthesis of (Z)-7-(((R)-2-Amino-2-carboxyethyl)thio)-2-(2,3-dimethylbut-3-enamido)hept-2-enoic Acid (A604435), which is an impurity of Cilastatin (C441100), prevents renal metabolism of penem and carbapenem antibiotics by specific and reversible dehydropeptidase I inhibition. Antibacterial adjunct.
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	CC(C(=C)C)C(=O)N
InChI:	InChI=1S/C6H11NO/c1-4(2)5(3)6(7)8/h5H,1H2,2-3H3,(H2,7,8)
InChI Key:	LWBALMKJFWPQBS-UHFFFAOYSA-N
Solubility:	Methanol
Appearance:	White Solid
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:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1