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5427-26-9 | 2-(2,5-Dioxoimidazolidin-4-yl)acetic acid
CAS No: 5427-26-9 Catalog No: AG003QYF MDL No:MFCD00005267
Product Description
Catalog Number:
AG003QYF
Chemical Name:
2-(2,5-Dioxoimidazolidin-4-yl)acetic acid
CAS Number:
5427-26-9
Molecular Formula:
C5H6N2O4
Molecular Weight:
158.1121
MDL Number:
MFCD00005267
IUPAC Name:
2-(2,5-dioxoimidazolidin-4-yl)acetic acid
InChI:
InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)
InChI Key:
DQQLZADYSWBCOX-UHFFFAOYSA-N
SMILES:
OC(=O)CC1NC(=O)NC1=O
EC Number:
226-574-4
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.113g/mol
Monoisotopic Mass:
158.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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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