2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid

C11H23NO5S — CID 79594364

IUPAC2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H23NO5S/c1-6-12(11(4,5)10(13)14)18(15,16)8-7-17-9(2)3/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyUMUICKPOYLTEDX-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.93
Rot. Bonds8

About 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid

2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid (PubChem CID 79594364) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid
PubChem CID79594364
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Name2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H23NO5S/c1-6-12(11(4,5)10(13)14)18(15,16)8-7-17-9(2)3/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyUMUICKPOYLTEDX-UHFFFAOYSA-N
XLogP0.93
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid (CID 79594364) is 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid is CCN(C(C)(C)C(=O)O)S(=O)(=O)CCOC(C)C.
What is the InChIKey of 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid?
The InChIKey is UMUICKPOYLTEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-6-12(11(4,5)10(13)14)18(15,16)8-7-17-9(2)3/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid?
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid has a molecular weight of 281.37 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79594364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).