2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid

C10H14N2O4S — CID 55178855

IUPAC2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCOCC(C)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-6(5-16-2)11-10(15)12-8-7(9(13)14)3-4-17-8/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyYCEOALYPPPKZQN-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.60
Rot. Bonds5

About 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid

2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 55178855) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID55178855
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCOCC(C)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-6(5-16-2)11-10(15)12-8-7(9(13)14)3-4-17-8/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyYCEOALYPPPKZQN-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113828
2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 83186689
2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114786
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114238
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-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114663
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-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid (CID 55178855) is 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid is COCC(C)NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is YCEOALYPPPKZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6(5-16-2)11-10(15)12-8-7(9(13)14)3-4-17-8/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 55178855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).