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1396964-95-6 | 2-[(Biphenyl-4-carbonyl)-amino]-propionic acid
CAS No: 1396964-95-6 Catalog No: AG01FA3D MDL No:
Product Description
Catalog Number:
AG01FA3D
Chemical Name:
2-[(Biphenyl-4-carbonyl)-amino]-propionic acid
CAS Number:
1396964-95-6
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
2-[(4-phenylbenzoyl)amino]propanoic acid
InChI:
InChI=1S/C16H15NO3/c1-11(16(19)20)17-15(18)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)(H,19,20)
InChI Key:
BPAJFJUFJGPGJS-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NC(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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