4-(2,3-Dihydro-3-oxo-5-isoxazolyl)-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester - CAS 782493-42-9

Catalog:	BB067771
Product Name:	4-(2,3-Dihydro-3-oxo-5-isoxazolyl)-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester
CAS:	782493-42-9
Synonyms:	tert-Butyl 4-(3-hydroxyisoxazol-5-yl)piperidine-1-carboxylate; 4-(3-HYDROXY-ISOXAZOL-5-YL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER; tert-butyl 4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
Description:	4-(2,3-Dihydro-3-oxo-5-isoxazolyl)-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester is a compound used in the preparation of anti-inflammatory agents as well as derivatives for regulators of immunoregulatory diseases.
Molecular Weight:	268.31
Molecular Formula:	C13H20N2O4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)NO2
InChI:	InChI=1S/C13H20N2O4/c1-13(2,3)18-12(17)15-6-4-9(5-7-15)10-8-11(16)14-19-10/h8-9H,4-7H2,1-3H3,(H,14,16)
InChI Key:	HBAKXSYOYQVZSN-UHFFFAOYSA-N

Complexity:	403
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.14230712
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.14230712
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2