Ethyl (1S,2R)-2-(boc-Amino)cyclopentanecarboxylate - CAS 1140972-31-1
Catalog: |
BB065645 |
Product Name: |
Ethyl (1S,2R)-2-(boc-Amino)cyclopentanecarboxylate |
CAS: |
1140972-31-1 |
Synonyms: |
(1S,2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-cyclopentanecarboxylic Acid Ethyl Ester |
IUPAC Name: | ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate |
Description: | Ethyl (1S,2R)-2-(boc-amino)cyclopentanecarboxylate |
Molecular Weight: | 257.33 |
Molecular Formula: | C13H23NO4 |
Canonical SMILES: | CCOC(=O)C1CCCC1NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C13H23NO4/c1-5-17-11(15)9-7-6-8-10(9)14-12(16)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)/t9-,10+/m0/s1 |
InChI Key: | MHYUFBHMDDIXTD-VHSXEESVSA-N |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.16270821 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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