2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid

C13H18N2O3S — CID 114548192

IUPAC2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCC1(C)CCC(NC(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O3S/c1-13(2)5-3-8(7-13)14-12(18)15-10-9(11(16)17)4-6-19-10/h4,6,8H,3,5,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyCAFXGUOYCLLPAX-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 114548192) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID114548192
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCC1(C)CCC(NC(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O3S/c1-13(2)5-3-8(7-13)14-12(18)15-10-9(11(16)17)4-6-19-10/h4,6,8H,3,5,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyCAFXGUOYCLLPAX-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid (CID 114548192) is 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid is CC1(C)CCC(NC(=O)Nc2sccc2C(=O)O)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is CAFXGUOYCLLPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-13(2)5-3-8(7-13)14-12(18)15-10-9(11(16)17)4-6-19-10/h4,6,8H,3,5,7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 114548192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).