(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 |
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: | 165Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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