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

C12H16N2O3S — CID 66355460

IUPAC2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccsc2)CCCC1
InChIInChI=1S/C12H16N2O3S/c15-10(16)7-12(4-1-2-5-12)14-11(17)13-9-3-6-18-8-9/h3,6,8H,1-2,4-5,7H2,(H,15,16)(H2,13,14,17)
InChIKeyFQHLQMBYOFNQEH-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.66
Rot. Bonds4

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

2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 66355460) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID66355460
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccsc2)CCCC1
InChIInChI=1S/C12H16N2O3S/c15-10(16)7-12(4-1-2-5-12)14-11(17)13-9-3-6-18-8-9/h3,6,8H,1-2,4-5,7H2,(H,15,16)(H2,13,14,17)
InChIKeyFQHLQMBYOFNQEH-UHFFFAOYSA-N
XLogP2.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
CID 107142827
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64701805
2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
CID 79842234
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
2-[1-(aminomethyl)cyclohexyl]acetic acid;(2S)-2-(thiophen-3-ylamino)propanoic acid
CID 68538338

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid (CID 66355460) is 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)Nc2ccsc2)CCCC1.
What is the InChIKey of 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is FQHLQMBYOFNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10(16)7-12(4-1-2-5-12)14-11(17)13-9-3-6-18-8-9/h3,6,8H,1-2,4-5,7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 268.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 66355460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).