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124882-74-2 | Glycine, N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]-
CAS No: 124882-74-2 Catalog No: AG000MUL MDL No:
Product Description
Catalog Number:
AG000MUL
Chemical Name:
Glycine, N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]-
CAS Number:
124882-74-2
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetic acid
InChI:
InChI=1S/C9H9NO4/c11-8(10-6-9(12)13)4-3-7-2-1-5-14-7/h1-5H,6H2,(H,10,11)(H,12,13)/b4-3+
InChI Key:
XJVSWKBQMAOKAX-ONEGZZNKSA-N
SMILES:
OC(=O)CNC(=O)/C=C/c1ccco1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). | Bioorganic & medicinal chemistry 20081201 |
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