2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid

C12H15NO3S — CID 107175082

IUPAC2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1CCCC1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H15NO3S/c1-7-3-2-4-8(7)10(14)13-11-9(12(15)16)5-6-17-11/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyAEIBBKUTMUYCNJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.82
Rot. Bonds3

About 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid

2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 107175082) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
PubChem CID107175082
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1CCCC1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H15NO3S/c1-7-3-2-4-8(7)10(14)13-11-9(12(15)16)5-6-17-11/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyAEIBBKUTMUYCNJ-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
trans-(1S,2S)-2-[(3-carbamoylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623444
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114134
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759
2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
trans-(1S,2S)-2-[[3-(carbamoylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27518356
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
CID 83235309
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid (CID 107175082) is 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid is CC1CCCC1C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is AEIBBKUTMUYCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-7-3-2-4-8(7)10(14)13-11-9(12(15)16)5-6-17-11/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid?
2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 107175082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).