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13290-00-1 | Glycine, N-(2-furanylcarbonyl)-, methyl ester
CAS No: 13290-00-1 Catalog No: AG0011CV MDL No:
Product Description
Catalog Number:
AG0011CV
Chemical Name:
Glycine, N-(2-furanylcarbonyl)-, methyl ester
CAS Number:
13290-00-1
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
IUPAC Name:
methyl 2-(furan-2-carbonylamino)acetate
InChI:
InChI=1S/C8H9NO4/c1-12-7(10)5-9-8(11)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,11)
InChI Key:
MPRFBNLQEYNYQK-UHFFFAOYSA-N
SMILES:
COC(=O)CNC(=O)c1ccco1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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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