2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

C13H18N2O3S — CID 113278881

IUPAC2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCN(C(=O)NC(C(=O)O)c1cccs1)C1CCCC1
InChIInChI=1S/C13H18N2O3S/c1-15(9-5-2-3-6-9)13(18)14-11(12(16)17)10-7-4-8-19-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyNCRKBCRYDMZYCZ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.46
Rot. Bonds4

About 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 113278881) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID113278881
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCN(C(=O)NC(C(=O)O)c1cccs1)C1CCCC1
InChIInChI=1S/C13H18N2O3S/c1-15(9-5-2-3-6-9)13(18)14-11(12(16)17)10-7-4-8-19-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyNCRKBCRYDMZYCZ-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285276
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(oxane-2-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115284229

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (CID 113278881) is 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is CN(C(=O)NC(C(=O)O)c1cccs1)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is NCRKBCRYDMZYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-15(9-5-2-3-6-9)13(18)14-11(12(16)17)10-7-4-8-19-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 282.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 113278881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).