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88949-67-1 | Glycine, N-(carboxymethyl)-N-[2-[(2-methoxyphenyl)amino]-2-oxoethyl]-
CAS No: 88949-67-1 Catalog No: AG0047BG MDL No:
Product Description
Catalog Number:
AG0047BG
Chemical Name:
Glycine, N-(carboxymethyl)-N-[2-[(2-methoxyphenyl)amino]-2-oxoethyl]-
CAS Number:
88949-67-1
Molecular Formula:
C13H16N2O6
Molecular Weight:
296.2759
IUPAC Name:
2-[carboxymethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
InChI:
InChI=1S/C13H16N2O6/c1-21-10-5-3-2-4-9(10)14-11(16)6-15(7-12(17)18)8-13(19)20/h2-5H,6-8H2,1H3,(H,14,16)(H,17,18)(H,19,20)
InChI Key:
WRNQSDXPZDBNMI-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(=O)CN(CC(=O)O)CC(=O)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.279g/mol
Monoisotopic Mass:
296.101g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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