2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid

C13H18N2O3S — CID 64700143

IUPAC2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCc2ccsc2)CCCC1
InChIInChI=1S/C13H18N2O3S/c16-11(17)7-13(4-1-2-5-13)15-12(18)14-8-10-3-6-19-9-10/h3,6,9H,1-2,4-5,7-8H2,(H,16,17)(H2,14,15,18)
InChIKeyIAUIUSYAUNFBSW-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.33
Rot. Bonds5

About 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64700143) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64700143
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCc2ccsc2)CCCC1
InChIInChI=1S/C13H18N2O3S/c16-11(17)7-13(4-1-2-5-13)15-12(18)14-8-10-3-6-19-9-10/h3,6,9H,1-2,4-5,7-8H2,(H,16,17)(H2,14,15,18)
InChIKeyIAUIUSYAUNFBSW-UHFFFAOYSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701035
2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842220
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64701883
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 106382873
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
2-[1-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79852022
1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 63244240
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64700291

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid (CID 64700143) is 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)NCc2ccsc2)CCCC1.
What is the InChIKey of 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is IAUIUSYAUNFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-11(17)7-13(4-1-2-5-13)15-12(18)14-8-10-3-6-19-9-10/h3,6,9H,1-2,4-5,7-8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 282.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64700143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).