2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid

C11H16N2O4S — CID 107318257

IUPAC2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NCCCCCO)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O4S/c14-6-3-1-2-5-12-11(17)13-9-8(10(15)16)4-7-18-9/h4,7,14H,1-3,5-6H2,(H,15,16)(H2,12,13,17)
InChIKeyIOSMCCNUUZUBLN-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.73
Rot. Bonds7

About 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid

2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 107318257) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID107318257
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NCCCCCO)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O4S/c14-6-3-1-2-5-12-11(17)13-9-8(10(15)16)4-7-18-9/h4,7,14H,1-3,5-6H2,(H,15,16)(H2,12,13,17)
InChIKeyIOSMCCNUUZUBLN-UHFFFAOYSA-N
XLogP1.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106049277
2-(3-pyrrolidin-1-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113931
2-[3-(methanesulfonamido)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106340230
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 83203568
2-(2-ethoxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113875
2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid
CID 113465789
2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114663
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]thiophene-3-carboxylic acid
CID 63113877

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid (CID 107318257) is 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid is O=C(NCCCCCO)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is IOSMCCNUUZUBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c14-6-3-1-2-5-12-11(17)13-9-8(10(15)16)4-7-18-9/h4,7,14H,1-3,5-6H2,(H,15,16)(H2,12,13,17).
What are the key properties of 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid?
2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 107318257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).