2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid

C11H14N2O4S — CID 83235309

IUPAC2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NOC1CCCC1)Nc1sccc1C(=O)O
InChIInChI=1S/C11H14N2O4S/c14-10(15)8-5-6-18-9(8)12-11(16)13-17-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,15)(H2,12,13,16)
InChIKeyDCUXGVGDHFJXLD-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.44
Rot. Bonds4

About 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid

2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 83235309) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
PubChem CID83235309
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NOC1CCCC1)Nc1sccc1C(=O)O
InChIInChI=1S/C11H14N2O4S/c14-10(15)8-5-6-18-9(8)12-11(16)13-17-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,15)(H2,12,13,16)
InChIKeyDCUXGVGDHFJXLD-UHFFFAOYSA-N
XLogP2.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
CID 107223856
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 64912939
2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid
CID 43357298
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759
2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
CID 107175082
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 83203568
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid (CID 83235309) is 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid is O=C(NOC1CCCC1)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is DCUXGVGDHFJXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-10(15)8-5-6-18-9(8)12-11(16)13-17-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid?
2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 83235309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).