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75727-47-8 | 5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid
CAS No: 75727-47-8 Catalog No: AG005AD1 MDL No:MFCD00593143
Product Description
Catalog Number:
AG005AD1
Chemical Name:
5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid
CAS Number:
75727-47-8
Molecular Formula:
C10H18N2O3
Molecular Weight:
214.2615
MDL Number:
MFCD00593143
IUPAC Name:
5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
InChI:
InChI=1S/C10H18N2O3/c1-11-5-7-12(8-6-11)9(13)3-2-4-10(14)15/h2-8H2,1H3,(H,14,15)
InChI Key:
ITHJVGXJNVDHIQ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)CCCC(=O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.265g/mol
Monoisotopic Mass:
214.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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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