3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H20N2O3S — CID 66033016

IUPAC3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)NC2CCC(C(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-8-3-6-12(20-8)9(2)15-14(19)16-11-5-4-10(7-11)13(17)18/h3,6,9-11H,4-5,7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyIDNGGIPPFGWNNN-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.67
Rot. Bonds4

About 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66033016) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66033016
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)NC2CCC(C(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-8-3-6-12(20-8)9(2)15-14(19)16-11-5-4-10(7-11)13(17)18/h3,6,9-11H,4-5,7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyIDNGGIPPFGWNNN-UHFFFAOYSA-N
XLogP2.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092124
2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744116
3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66030647
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
3-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782082
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 61475527
(2S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61475940
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 66033016) is 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is Cc1ccc(C(C)NC(=O)NC2CCC(C(=O)O)C2)s1.
What is the InChIKey of 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is IDNGGIPPFGWNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-3-6-12(20-8)9(2)15-14(19)16-11-5-4-10(7-11)13(17)18/h3,6,9-11H,4-5,7H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66033016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).