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

C8H15NO5S — CID 61021269

IUPAC2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H15NO5S/c1-3-9(6-8(11)12)7(10)4-5-15(2,13)14/h3-6H2,1-2H3,(H,11,12)
InChIKeyMZDVWCAEYVGLLG-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.65
Rot. Bonds6

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

2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid (PubChem CID 61021269) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
PubChem CID61021269
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H15NO5S/c1-3-9(6-8(11)12)7(10)4-5-15(2,13)14/h3-6H2,1-2H3,(H,11,12)
InChIKeyMZDVWCAEYVGLLG-UHFFFAOYSA-N
XLogP-0.65
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid (CID 61021269) is 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)CCS(C)(=O)=O.
What is the InChIKey of 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The InChIKey is MZDVWCAEYVGLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-3-9(6-8(11)12)7(10)4-5-15(2,13)14/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid has a molecular weight of 237.28 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid is sourced from PubChem (CID 61021269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).