2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid

C10H14N2O4S — CID 83186689

IUPAC2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCC(CCO)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-6(2-4-13)11-10(16)12-8-7(9(14)15)3-5-17-8/h3,5-6,13H,2,4H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyICMBQAJYUWXOOV-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.34
Rot. Bonds5

About 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid

2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 83186689) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID83186689
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCC(CCO)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-6(2-4-13)11-10(16)12-8-7(9(14)15)3-5-17-8/h3,5-6,13H,2,4H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyICMBQAJYUWXOOV-UHFFFAOYSA-N
XLogP1.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113828
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114786
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoylamino]thiophene-3-carboxylic acid
CID 63114207
2-[[(1R)-1-(4-methylphenyl)ethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81349543
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114238
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-(1-methylsulfanylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113494919

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid (CID 83186689) is 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid is CC(CCO)NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is ICMBQAJYUWXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6(2-4-13)11-10(16)12-8-7(9(14)15)3-5-17-8/h3,5-6,13H,2,4H2,1H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 83186689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).