2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid

C13H18N2O3S — CID 115284804

IUPAC2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
SMILESO=C(CNC1CCCC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O3S/c16-11(8-14-9-4-1-2-5-9)15-12(13(17)18)10-6-3-7-19-10/h3,6-7,9,12,14H,1-2,4-5,8H2,(H,15,16)(H,17,18)
InChIKeyRIHOEOZOKNHUFN-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.52
Rot. Bonds6

About 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid

2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284804) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID115284804
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
SMILESO=C(CNC1CCCC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O3S/c16-11(8-14-9-4-1-2-5-9)15-12(13(17)18)10-6-3-7-19-10/h3,6-7,9,12,14H,1-2,4-5,8H2,(H,15,16)(H,17,18)
InChIKeyRIHOEOZOKNHUFN-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
CID 61157868
2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278796
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278881
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-(oxane-2-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115284229

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid (CID 115284804) is 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid is O=C(CNC1CCCC1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is RIHOEOZOKNHUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-11(8-14-9-4-1-2-5-9)15-12(13(17)18)10-6-3-7-19-10/h3,6-7,9,12,14H,1-2,4-5,8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid?
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 282.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).