2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid

C9H17NO6S — CID 62818377

IUPAC2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C9H17NO6S/c1-5-10(9(2,3)8(12)13)17(14,15)6-7(11)16-4/h5-6H2,1-4H3,(H,12,13)
InChIKeyIFRGSRIGYADEMG-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.33
Rot. Bonds6

About 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid

2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 62818377) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID62818377
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C9H17NO6S/c1-5-10(9(2,3)8(12)13)17(14,15)6-7(11)16-4/h5-6H2,1-4H3,(H,12,13)
InChIKeyIFRGSRIGYADEMG-UHFFFAOYSA-N
XLogP-0.33
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid (CID 62818377) is 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid is CCN(C(C)(C)C(=O)O)S(=O)(=O)CC(=O)OC.
What is the InChIKey of 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is IFRGSRIGYADEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-5-10(9(2,3)8(12)13)17(14,15)6-7(11)16-4/h5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid?
2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 267.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).