(S)-tert-Butyl 4-Aminoazepane-1-carboxylate - CAS 878630-84-3
Catalog: |
BB074066 |
Product Name: |
(S)-tert-Butyl 4-Aminoazepane-1-carboxylate |
CAS: |
878630-84-3 |
Synonyms: |
(S)-tert-butyl 4-aminoazepane-1-carboxylate; tert-butyl (4S)-4-aminoazepane-1-carboxylate; (4S)-1-Boc-4-aminoazepane |
IUPAC Name: | tert-butyl (4S)-4-aminoazepane-1-carboxylate |
Description: | (S)-tert-Butyl 4-Aminoazepane-1-carboxylate is a useful reagent in the preparation of nicotinamides of benzyl- substituted 4- aminopiperidines and analogs of generic structure 2 and 2' discovered with potential for selective SST5 antagonism. |
Molecular Weight: | 214.3 |
Molecular Formula: | C11H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC(CC1)N |
InChI: | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3/t9-/m0/s1 |
InChI Key: | YCOKHOLOSGJEGL-VIFPVBQESA-N |
References: | Alker, A., et al. Bioorg. Med. Chem. Lett., 20, 4521 (2010). |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.168127949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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