2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid

C8H15NO5S — CID 24709520

IUPAC2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid
SMILESCC(C)(C)NC(=O)CS(=O)(=O)CC(=O)O
InChIInChI=1S/C8H15NO5S/c1-8(2,3)9-6(10)4-15(13,14)5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyDVEYTXZSVHHTKG-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.60
Rot. Bonds4

About 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid

2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid (PubChem CID 24709520) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid
PubChem CID24709520
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid
SMILESCC(C)(C)NC(=O)CS(=O)(=O)CC(=O)O
InChIInChI=1S/C8H15NO5S/c1-8(2,3)9-6(10)4-15(13,14)5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyDVEYTXZSVHHTKG-UHFFFAOYSA-N
XLogP-0.60
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-methylpropyl)sulfonyl-N-tert-butylacetamide
CID 81188442
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide
CID 86993239
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
N,N'-ditert-butylhexanediamide
CID 3593481
N-tert-butyl-2-(1-ethylsulfonylpropan-2-ylamino)acetamide
CID 113350703
2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid
CID 112589540
4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid
CID 155618310
N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149833
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
N-tert-butyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79551841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid?
The IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid (CID 24709520) is 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid.
What is the SMILES notation for 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid?
The canonical SMILES for 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid is CC(C)(C)NC(=O)CS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid?
The InChIKey is DVEYTXZSVHHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-8(2,3)9-6(10)4-15(13,14)5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid?
2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid has a molecular weight of 237.28 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid is sourced from PubChem (CID 24709520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).