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

C7H13NO5S — CID 43171127

IUPAC2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-8(5-7(10)11)6(9)3-4-14(2,12)13/h3-5H2,1-2H3,(H,10,11)
InChIKeyJLSUKHACXBGQON-UHFFFAOYSA-N
MW223.25 g/mol
LogP-1.04
Rot. Bonds5

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

2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid (PubChem CID 43171127) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid
PubChem CID43171127
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-8(5-7(10)11)6(9)3-4-14(2,12)13/h3-5H2,1-2H3,(H,10,11)
InChIKeyJLSUKHACXBGQON-UHFFFAOYSA-N
XLogP-1.04
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid (CID 43171127) is 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid is CN(CC(=O)O)C(=O)CCS(C)(=O)=O.
What is the InChIKey of 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The InChIKey is JLSUKHACXBGQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-8(5-7(10)11)6(9)3-4-14(2,12)13/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid?
2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid has a molecular weight of 223.25 g/mol, XLogP of -1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylsulfonylpropanoyl)amino]acetic acid is sourced from PubChem (CID 43171127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).