2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid

C6H14N2O4S — CID 114958849

IUPAC2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-4-8(13(7,11)12)6(2,3)5(9)10/h4H2,1-3H3,(H,9,10)(H2,7,11,12)
InChIKeyWBTSHVIGYFMHLR-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.62
Rot. Bonds4

About 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid

2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid (PubChem CID 114958849) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid
PubChem CID114958849
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-4-8(13(7,11)12)6(2,3)5(9)10/h4H2,1-3H3,(H,9,10)(H2,7,11,12)
InChIKeyWBTSHVIGYFMHLR-UHFFFAOYSA-N
XLogP-0.62
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818554
2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid
CID 62818377
2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 105360802
2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid
CID 55123401
2-[(4-carbamoylphenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818725
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid
CID 79594364
2-[cyclohexylmethylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818726
2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid
CID 62818553
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62817138
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817485
2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid
CID 22683291

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid (CID 114958849) is 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid is CCN(C(C)(C)C(=O)O)S(N)(=O)=O.
What is the InChIKey of 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid?
The InChIKey is WBTSHVIGYFMHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-4-8(13(7,11)12)6(2,3)5(9)10/h4H2,1-3H3,(H,9,10)(H2,7,11,12).
What are the key properties of 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid?
2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid has a molecular weight of 210.25 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114958849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).