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17274-90-7 | N-(Pyridin-3-ylcarbonyl) methionine
CAS No: 17274-90-7 Catalog No: AG00JLUR MDL No:
Product Description
Catalog Number:
AG00JLUR
Chemical Name:
N-(Pyridin-3-ylcarbonyl) methionine
CAS Number:
17274-90-7
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
IUPAC Name:
4-methylsulfanyl-2-(pyridine-3-carbonylamino)butanoic acid
InChI:
InChI=1S/C11H14N2O3S/c1-17-6-4-9(11(15)16)13-10(14)8-3-2-5-12-7-8/h2-3,5,7,9H,4,6H2,1H3,(H,13,14)(H,15,16)
InChI Key:
XPOZUYPEUMYKMV-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NC(=O)c1cccnc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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