methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate

C18H24N2O4S — CID 86917257

IUPACmethyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CC(=O)N(C2CCCC2)C1)c1cccs1
InChIInChI=1S/C18H24N2O4S/c1-24-17(22)10-14(15-7-4-8-25-15)19-18(23)12-9-16(21)20(11-12)13-5-2-3-6-13/h4,7-8,12-14H,2-3,5-6,9-11H2,1H3,(H,19,23)
InChIKeyWSDQLZCVSDDVOP-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.26
Rot. Bonds6

About methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate

methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate (PubChem CID 86917257) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
PubChem CID86917257
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Namemethyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CC(=O)N(C2CCCC2)C1)c1cccs1
InChIInChI=1S/C18H24N2O4S/c1-24-17(22)10-14(15-7-4-8-25-15)19-18(23)12-9-16(21)20(11-12)13-5-2-3-6-13/h4,7-8,12-14H,2-3,5-6,9-11H2,1H3,(H,19,23)
InChIKeyWSDQLZCVSDDVOP-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 46566073
methyl 3-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46581822
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119136689
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46493250
1-cyclopentyl-N-(2-hydroxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110931202
methyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-thiophen-2-ylpropanoate
CID 46534361
(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
CID 94186669
methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709882
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 60698316
methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 55633003

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate (CID 86917257) is methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)C1CC(=O)N(C2CCCC2)C1)c1cccs1.
What is the InChIKey of methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate?
The InChIKey is WSDQLZCVSDDVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-24-17(22)10-14(15-7-4-8-25-15)19-18(23)12-9-16(21)20(11-12)13-5-2-3-6-13/h4,7-8,12-14H,2-3,5-6,9-11H2,1H3,(H,19,23).
What are the key properties of methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate?
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate has a molecular weight of 364.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 86917257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).