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138524-52-4 | Glycine, N-[2-[[(6-methyl-2-pyridinyl)amino]carbonyl]-3-oxo-1-buten-1-yl]-
CAS No: 138524-52-4 Catalog No: AG0019DH MDL No:
Product Description
Catalog Number:
AG0019DH
Chemical Name:
Glycine, N-[2-[[(6-methyl-2-pyridinyl)amino]carbonyl]-3-oxo-1-buten-1-yl]-
CAS Number:
138524-52-4
Molecular Formula:
C13H15N3O4
Molecular Weight:
277.2759
IUPAC Name:
2-[[3-hydroxy-2-[(6-methylpyridin-2-yl)carbamoyl]but-2-enylidene]amino]acetic acid
InChI:
InChI=1S/C13H15N3O4/c1-8-4-3-5-11(15-8)16-13(20)10(9(2)17)6-14-7-12(18)19/h3-6,17H,7H2,1-2H3,(H,18,19)(H,15,16,20)
InChI Key:
IZJMRTBBHUZXLV-UHFFFAOYSA-N
SMILES:
OC(=O)CNC=C(C(=O)Nc1cccc(n1)C)C(=O)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.28g/mol
Monoisotopic Mass:
277.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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