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Home Other Building Blocks 1-Pyrrolidineacetic acid, a-methyl-2,5-dioxo-, (±)-

1-Pyrrolidineacetic acid, a-methyl-2,5-dioxo-, (±)-

CAS No.:
73323-90-7
Catalog Number:
AG019LEO
Molecular Formula:
C7H9NO4
Molecular Weight:
171.1507
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Product Description
Catalog Number:
AG019LEO
Chemical Name:
1-Pyrrolidineacetic acid, a-methyl-2,5-dioxo-, (±)-
CAS Number:
73323-90-7
Molecular Formula:
C7H9NO4
Molecular Weight:
171.1507
MDL Number:
MFCD00481983
IUPAC Name:
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
InChI:
InChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)
InChI Key:
DCESWPKOLYIMNH-UHFFFAOYSA-N
SMILES:
OC(=O)C(N1C(=O)CCC1=O)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.152g/mol
Monoisotopic Mass:
171.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties