(1S,3R,4S)-Ethyl 4-Amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate Oxalate - CAS 1093351-24-6

Catalog:	BB056028
Product Name:	(1S,3R,4S)-Ethyl 4-Amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate Oxalate
CAS:	1093351-24-6
Synonyms:	(1S,3R,4S)-4-Amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-cyclohexanecarboxylic Acid Ethyl Ester Ethanedioate

Technical Data

IUPAC Name:	ethyl (1S,3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylateoxalic acid
Description:	(1S,3R,4S)-Ethyl 4-Amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate Oxalate has been used as a reactant for the preparation of oxadiazole compounds containing cyclohexanediamine moiety.
Molecular Weight:	376.4
Molecular Formula:	C16H28N2O8
Canonical SMILES:	CCOC(=O)C1CCC(C(C1)NC(=O)OC(C)(C)C)N.C(=O)(C(=O)O)O
InChI:	InChI=1S/C14H26N2O4.C2H2O4/c1-5-19-12(17)9-6-7-10(15)11(8-9)16-13(18)20-14(2,3)43-1(4)2(5)6/h9-11H,5-8,15H2,1-4H3,(H,16,18)(H,3,4)(H,5,6)/t9-,10-,11+/m0./s1
InChI Key:	XOOSYRSTVVOEEP-PBDVDRNWSA-N

Complexity:	423
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	376.18456586
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	376.18456586
Rotatable Bond Count:	7
Topological Polar Surface Area:	165Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0