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Home > Pyridines > 280133-38-2
280133-38-2 | 3-Phenyl-4-(pyridin-2-ylcarbamoyl)-butyric acid
CAS No: 280133-38-2 Catalog No: AG01F9X8 MDL No:
Product Description
Catalog Number:
AG01F9X8
Chemical Name:
3-Phenyl-4-(pyridin-2-ylcarbamoyl)-butyric acid
CAS Number:
280133-38-2
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid
InChI:
InChI=1S/C16H16N2O3/c19-15(18-14-8-4-5-9-17-14)10-13(11-16(20)21)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,20,21)(H,17,18,19)
InChI Key:
GSCMLKCGCNHMEB-UHFFFAOYSA-N
SMILES:
O=C(CC(c1ccccc1)CC(=O)O)Nc1ccccn1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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