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883542-33-4 | 3-Piperidinecarboxylicacid, 1-(2-furanylmethyl)-
CAS No: 883542-33-4 Catalog No: AG008990 MDL No:
Product Description
Catalog Number:
AG008990
Chemical Name:
3-Piperidinecarboxylicacid, 1-(2-furanylmethyl)-
CAS Number:
883542-33-4
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C11H15NO3/c13-11(14)9-3-1-5-12(7-9)8-10-4-2-6-15-10/h2,4,6,9H,1,3,5,7-8H2,(H,13,14)
InChI Key:
WFDYISHJAUCVRQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)Cc1ccco1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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