Methyl (R)-1-Boc-4-[(1-phenylethyl)amino]-1,2,5,6-tetrahydropyridine-3-carboxylate - CAS 362489-59-6
Catalog: |
BB022917 |
Product Name: |
Methyl (R)-1-Boc-4-[(1-phenylethyl)amino]-1,2,5,6-tetrahydropyridine-3-carboxylate |
CAS: |
362489-59-6 |
Synonyms: |
4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid O1-tert-butyl ester O5-methyl ester; 1-O-tert-butyl 5-O-methyl 4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 5-O-methyl 4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate |
Description: | Methyl (R)-1-Boc-4-[(1-phenylethyl)amino]-1,2,5,6-tetrahydropyridine-3-carboxylate (CAS# 362489-59-6 ) is a useful research chemical. |
Molecular Weight: | 360.45 |
Molecular Formula: | C20H28N2O4 |
Canonical SMILES: | CC(C1=CC=CC=C1)NC2=C(CN(CC2)C(=O)OC(C)(C)C)C(=O)OC |
InChI: | InChI=1S/C20H28N2O4/c1-14(15-9-7-6-8-10-15)21-17-11-12-22(13-16(17)18(23)25-5)19(24)26-20(2,3)4/h6-10,14,21H,11-13H2,1-5H3 |
InChI Key: | KRXJITHGLPLONE-UHFFFAOYSA-N |
LogP: | 3.73390 |
Publication Number | Title | Priority Date |
US-2006211730-A1 | Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase | 20050321 |
US-7595327-B2 | Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase | 20050321 |
US-2003032654-A1 | N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity | 20000630 |
US-2004058961-A1 | N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity | 20000630 |
US-6627629-B2 | N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity | 20000630 |
Complexity: | 545 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.20490738 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.20490738 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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