Methyl trans-4-[(Boc-amino)methyl]cyclohexanecarboxylate - CAS 222986-86-9
Catalog: |
BB017518 |
Product Name: |
Methyl trans-4-[(Boc-amino)methyl]cyclohexanecarboxylate |
CAS: |
222986-86-9 |
Synonyms: |
4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid methyl ester; methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate |
IUPAC Name: | methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate |
Description: | Methyl trans-4-[(Boc-amino)methyl]cyclohexanecarboxylate (CAS# 222986-86-9 ) is a useful research chemical. |
Molecular Weight: | 271.35 |
Molecular Formula: | C14H25NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC |
InChI: | InChI=1S/C14H25NO4/c1-14(2,3)19-13(17)15-9-10-5-7-11(8-6-10)12(16)18-4/h10-11H,5-9H2,1-4H3,(H,15,17) |
InChI Key: | JRJOPLNDRJAOCP-UHFFFAOYSA-N |
LogP: | 2.88140 |
Publication Number | Title | Priority Date |
WO-2020135765-A1 | Cxcr4 inhibitor and application thereof | 20181228 |
US-10029993-B2 | Disubstituted 1, 2, 4-triazine compound | 20140424 |
US-2017044115-A1 | Novel disubstituted 1, 2, 4-triazine compound | 20140424 |
US-10562977-B2 | Ligand-cytotoxic drug conjugate, preparation method thereof, and uses thereof | 20140129 |
US-2010010219-A1 | Method for producing pyrrolidine compound | 20061207 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.17835828 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.17835828 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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