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99068-62-9 | N-(2-Pyridyl)glutaramic acid
CAS No: 99068-62-9 Catalog No: AG00JLJE MDL No:
Product Description
Catalog Number:
AG00JLJE
Chemical Name:
N-(2-Pyridyl)glutaramic acid
CAS Number:
99068-62-9
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
5-oxo-5-(pyridin-2-ylamino)pentanoic acid
InChI:
InChI=1S/C10H12N2O3/c13-9(5-3-6-10(14)15)12-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2,(H,14,15)(H,11,12,13)
InChI Key:
BBRRLSPBPBDMTE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccn1)CCCC(=O)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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