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88949-65-9 | Glycine, N-(carboxymethyl)-N-[2-[(2-methylphenyl)amino]-2-oxoethyl]-
CAS No: 88949-65-9 Catalog No: AG00487B MDL No:
Product Description
Catalog Number:
AG00487B
Chemical Name:
Glycine, N-(carboxymethyl)-N-[2-[(2-methylphenyl)amino]-2-oxoethyl]-
CAS Number:
88949-65-9
Molecular Formula:
C13H16N2O5
Molecular Weight:
280.2765
IUPAC Name:
2-[carboxymethyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetic acid
InChI:
InChI=1S/C13H16N2O5/c1-9-4-2-3-5-10(9)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:
MGKPKHBDCDPYPT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C)CN(CC(=O)O)CC(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.28g/mol
Monoisotopic Mass:
280.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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