2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid

C13H17NO3S — CID 113278582

IUPAC2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(CC1CCCC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H17NO3S/c15-11(8-9-4-1-2-5-9)14-12(13(16)17)10-6-3-7-18-10/h3,6-7,9,12H,1-2,4-5,8H2,(H,14,15)(H,16,17)
InChIKeyOVXHWMAFVRFSLN-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.57
Rot. Bonds5

About 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 113278582) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID113278582
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(CC1CCCC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H17NO3S/c15-11(8-9-4-1-2-5-9)14-12(13(16)17)10-6-3-7-18-10/h3,6-7,9,12H,1-2,4-5,8H2,(H,14,15)(H,16,17)
InChIKeyOVXHWMAFVRFSLN-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278796
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278881
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
2-(oxane-2-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115284229
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid (CID 113278582) is 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid is O=C(CC1CCCC1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is OVXHWMAFVRFSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-11(8-9-4-1-2-5-9)14-12(13(16)17)10-6-3-7-18-10/h3,6-7,9,12H,1-2,4-5,8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 267.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 113278582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).