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Methyl [methyl(3-methylbutanoyl)amino]acetate,Glycine, N-methyl-N-(3-m

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摘 要:Methyl [methyl(3-methylbutanoyl)amino]acetate,Glycine, N-methyl-N-(3-methyl-1-oxobutyl)-, methyl ester, methyl 2-(methyl-(3-methylbutanoyl)amino)acetate,Canonical SMILES: CC(C)CC(=O)N(C)CC(=O)OC,InChI: InChI=1/C9H17NO3/c1-7(2)5-8(11)10(3)6-9(12)13-4/
[Synonyms]
Methyl [methyl(3-methylbutanoyl)amino]acetate
Glycine, N-methyl-N-(3-methyl-1-oxobutyl)-, methyl ester

[Structure]
Methyl [methyl(3-methylbutanoyl)amino]acetate,Glycine, N-methyl-N-(3-m

[ Properties Computed from Structure]
Molecular Weight187.23618 [g/mol]
Molecular FormulaC9H17NO3
XLogP0.9
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count5
Exact Mass187.120843
MonoIsotopic Mass187.120843
Topological Polar Surface Area46.6
Heavy Atom Count13
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl 2-(methyl-(3-methylbutanoyl)amino)acetate
Canonical SMILES: CC(C)CC(=O)N(C)CC(=O)OC
InChI: InChI=1/C9H17NO3/c1-7(2)5-8(11)10(3)6-9(12)13-4/h7H,5-6H2,1-4H3

 
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