[2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C14H19NO4S — CID 2366549

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCC(C)CNC(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C14H19NO4S/c1-10(2)8-15-13(17)9-19-14(18)6-5-11(16)12-4-3-7-20-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyUCPDXOOLKPVYJL-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.03
Rot. Bonds8

About [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 2366549) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID2366549
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCC(C)CNC(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C14H19NO4S/c1-10(2)8-15-13(17)9-19-14(18)6-5-11(16)12-4-3-7-20-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyUCPDXOOLKPVYJL-UHFFFAOYSA-N
XLogP2.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate with MolForge

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Related Compounds

[2-(Methylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2364043
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2364522
[2-(Cyclopropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2365065
[2-Oxo-2-(prop-2-enylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4299310
4-Oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] ester
CID 3977672
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4544969
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2103833
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2383250
[2-(Benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3269340
[2-(Tert-butylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3280828
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 5053667

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 2366549) is [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is CC(C)CNC(=O)COC(=O)CCC(=O)c1cccs1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is UCPDXOOLKPVYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(2)8-15-13(17)9-19-14(18)6-5-11(16)12-4-3-7-20-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 297.38 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 2366549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).