2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid

C9H17NO6S — CID 54969443

IUPAC2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H17NO6S/c1-16-5-4-10(7-9(12)13)8(11)3-6-17(2,14)15/h3-7H2,1-2H3,(H,12,13)
InChIKeyGDCDBCJGFRDMIA-UHFFFAOYSA-N
MW267.30 g/mol
LogP-1.02
Rot. Bonds8

About 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid

2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid (PubChem CID 54969443) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid
PubChem CID54969443
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H17NO6S/c1-16-5-4-10(7-9(12)13)8(11)3-6-17(2,14)15/h3-7H2,1-2H3,(H,12,13)
InChIKeyGDCDBCJGFRDMIA-UHFFFAOYSA-N
XLogP-1.02
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid (CID 54969443) is 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)CCS(C)(=O)=O.
What is the InChIKey of 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The InChIKey is GDCDBCJGFRDMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-16-5-4-10(7-9(12)13)8(11)3-6-17(2,14)15/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid has a molecular weight of 267.30 g/mol, XLogP of -1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(3-methylsulfonylpropanoyl)amino]acetic acid is sourced from PubChem (CID 54969443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).