methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

C18H26N2O4 — CID 134060939

IUPACmethyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCN(C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC)C1CCCC1
InChIInChI=1S/C18H26N2O4/c1-5-20(13-8-6-7-9-13)15(22)10-14-16(18(23)24-4)11(2)17(19-14)12(3)21/h13,19H,5-10H2,1-4H3
InChIKeyUNBNBNJWNLVEGN-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.65
Rot. Bonds6

About methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 134060939) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID134060939
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCN(C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC)C1CCCC1
InChIInChI=1S/C18H26N2O4/c1-5-20(13-8-6-7-9-13)15(22)10-14-16(18(23)24-4)11(2)17(19-14)12(3)21/h13,19H,5-10H2,1-4H3
InChIKeyUNBNBNJWNLVEGN-UHFFFAOYSA-N
XLogP2.65
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 5-acetyl-2-[2-(azetidin-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
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CID 9450105
methyl 5-acetyl-2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 9451396
methyl 5-acetyl-2-[2-(N,4-dimethylanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 60621816
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1H-pyrrole-3-carboxylate
CID 94819837
methyl 5-acetyl-2-[2-(2-cyclopentylsulfanylanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
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methyl 5-acetyl-4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrrole-3-carboxylate
CID 51265343
methyl 5-acetyl-2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 134004695
methyl 5-[2-[cyclopentyl(methyl)amino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18124975
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]ethyl]-1H-pyrrole-3-carboxylate
CID 55706209
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]ethyl]-1H-pyrrole-3-carboxylate
CID 55406972
methyl 5-acetyl-2-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 86926289

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate (CID 134060939) is methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate is CCN(C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC)C1CCCC1.
What is the InChIKey of methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is UNBNBNJWNLVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-20(13-8-6-7-9-13)15(22)10-14-16(18(23)24-4)11(2)17(19-14)12(3)21/h13,19H,5-10H2,1-4H3.
What are the key properties of methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 134060939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).