1-Cbz-6-methylpiperidine-3-carboxylic Acid - CAS 908245-09-0
Catalog: |
BB039964 |
Product Name: |
1-Cbz-6-methylpiperidine-3-carboxylic Acid |
CAS: |
908245-09-0 |
Synonyms: |
6-methyl-1-phenylmethoxycarbonyl-3-piperidinecarboxylic acid; 6-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid |
IUPAC Name: | 6-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid |
Description: | 1-Cbz-6-Methylpiperidine-3-Carboxylic Acid can be Bruton's kinase inhibitor. |
Molecular Weight: | 277.32 |
Molecular Formula: | C15H19NO4 |
Canonical SMILES: | CC1CCC(CN1C(=O)OCC2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C15H19NO4/c1-11-7-8-13(14(17)18)9-16(11)15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18) |
InChI Key: | WHBWAWHXIPKUMC-UHFFFAOYSA-N |
MDL: | MFCD21648275 |
LogP: | 2.44620 |
Publication Number | Title | Priority Date |
EP-2548877-A1 | 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors | 20110719 |
EP-2734529-A1 | Btk inhibitors | 20110719 |
EP-2734529-B1 | Btk inhibitors | 20110719 |
KR-20140068020-A | BTK inhibitor | 20110719 |
US-2014221333-A1 | Btk inhibitors | 20110719 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.13140809 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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