2-(3-Carboxyphenyl)-1-piperidinecarboxylic Acid 1-(1,1-Dimethylethyl) Ester - CAS 908334-24-7
Catalog: |
BB070516 |
Product Name: |
2-(3-Carboxyphenyl)-1-piperidinecarboxylic Acid 1-(1,1-Dimethylethyl) Ester |
CAS: |
908334-24-7 |
Synonyms: |
2-(3-Carboxyphenyl)-1-piperidinecarboxylic Acid 1-(1,1-Dimethylethyl) Ester; 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]benzoic acid; 3-{1-[(tert-butoxy)carbonyl]piperidin-2-yl}benzoic acid; 2-(3-carboxyphenyl)piperidine-1-carboxylic acid tert-butyl ester |
IUPAC Name: | 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]benzoic acid |
Molecular Weight: | 305.37 |
Molecular Formula: | C17H23NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCCC1C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-5-4-9-14(18)12-7-6-8-13(11-12)15(19)20/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,19,20) |
InChI Key: | OQLDUBTUXROOHQ-UHFFFAOYSA-N |
Complexity: | 415 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.16270821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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