2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid

C11H22N2O5S — CID 79864879

IUPAC2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(C)CCS(C)(=O)=O)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-6-13(11(2,3)9(14)15)10(16)12(4)7-8-19(5,17)18/h6-8H2,1-5H3,(H,14,15)
InChIKeyWGHGWIWKOXUUIA-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.27
Rot. Bonds6

About 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 79864879) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID79864879
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(C)CCS(C)(=O)=O)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-6-13(11(2,3)9(14)15)10(16)12(4)7-8-19(5,17)18/h6-8H2,1-5H3,(H,14,15)
InChIKeyWGHGWIWKOXUUIA-UHFFFAOYSA-N
XLogP0.27
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 79864879) is 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)N(C)CCS(C)(=O)=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is WGHGWIWKOXUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-6-13(11(2,3)9(14)15)10(16)12(4)7-8-19(5,17)18/h6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 294.37 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 79864879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).