2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid

C11H22N2O4S — CID 55123401

IUPAC2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-4-13(11(2,3)10(14)15)18(16,17)12-8-6-5-7-9-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyVKORBGYYDAUCML-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.90
Rot. Bonds5

About 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid

2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid (PubChem CID 55123401) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid
PubChem CID55123401
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-4-13(11(2,3)10(14)15)18(16,17)12-8-6-5-7-9-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyVKORBGYYDAUCML-UHFFFAOYSA-N
XLogP0.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-(piperidin-1-yl)propanoic acid hydrochloride
CID 131876470
2-Methyl-2-(piperidin-1-yl)propanoic acid
CID 19965467
(2R)-2-[(4,4-difluoropiperidin-1-yl)sulfonyl-methylamino]propanoic acid
CID 167804215
2-[(1-Methanesulfonyl-piperidin-4-yl)-methyl-amino]-2-methyl-propionic acid
CID 58297268
2-Methyl-2-[3-methylbutyl(sulfamoyl)amino]propanoic acid
CID 88339922
2-Methyl-2-[2-methylpropyl(sulfamoyl)amino]propanoic acid
CID 88340624
2-[Pentyl(sulfo)amino]propanoic acid
CID 174428574
2-Methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
CID 20985975
2-[Methyl-(4-methylpiperidin-1-yl)sulfonylamino]acetic acid
CID 28783586
2-[Methyl(piperidin-1-ylsulfonyl)amino]acetic acid
CID 28783588
2-[Methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid
CID 43210775
2-[Methyl-(3-methylpiperidin-1-yl)sulfonylamino]acetic acid
CID 43210776

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid (CID 55123401) is 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid is CCN(C(C)(C)C(=O)O)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid?
The InChIKey is VKORBGYYDAUCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-13(11(2,3)10(14)15)18(16,17)12-8-6-5-7-9-12/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid?
2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).