3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid

C20H25NO5 — CID 66894847

IUPAC3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
SMILESCOc1ccccc1OC1=CC(=O)N(C(CC2CCCCC2)C(=O)O)C1
InChIInChI=1S/C20H25NO5/c1-25-17-9-5-6-10-18(17)26-15-12-19(22)21(13-15)16(20(23)24)11-14-7-3-2-4-8-14/h5-6,9-10,12,14,16H,2-4,7-8,11,13H2,1H3,(H,23,24)
InChIKeyHUTCUYUYDSODHS-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.22
Rot. Bonds7

About 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid

3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid (PubChem CID 66894847) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
PubChem CID66894847
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
SMILESCOc1ccccc1OC1=CC(=O)N(C(CC2CCCCC2)C(=O)O)C1
InChIInChI=1S/C20H25NO5/c1-25-17-9-5-6-10-18(17)26-15-12-19(22)21(13-15)16(20(23)24)11-14-7-3-2-4-8-14/h5-6,9-10,12,14,16H,2-4,7-8,11,13H2,1H3,(H,23,24)
InChIKeyHUTCUYUYDSODHS-UHFFFAOYSA-N
XLogP3.22
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoate
CID 66895519
3-cyclohexyl-2-[5-oxo-3-(2-phenylmethoxyphenoxy)-2H-pyrrol-1-yl]propanoic acid
CID 67504637
3-cyclohexyl-2-[3-(2,3-dimethylphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 66894716
2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-[(2S)-oxolan-2-yl]propanoic acid
CID 66894384
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
CID 67504582
3-cyclohexyl-2-[3-(2,4-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 66894686
3-cyclohexyl-2-[3-(3-methylphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 67504273
N-[(Z)-1-amino-3-[(2-hydroxy-2-methylpropyl)amino]prop-2-enylidene]-3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanamide
CID 143878609
methyl 3-cyclohexyl-2-[3-(3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoate
CID 66895010
1-[(2R)-1-cyclohexylpropan-2-yl]-3-(2-phenylmethoxyphenoxy)-2H-pyrrol-5-one
CID 67490383
(2S)-3-cyclohexyl-2-[5-oxo-3-[3-(trifluoromethyl)phenoxy]-2H-pyrrol-1-yl]propanoic acid
CID 66893495
methyl 3-cyclohexyl-2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]propanoate
CID 66894200

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid?
The IUPAC name of 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid (CID 66894847) is 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid is COc1ccccc1OC1=CC(=O)N(C(CC2CCCCC2)C(=O)O)C1.
What is the InChIKey of 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid?
The InChIKey is HUTCUYUYDSODHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-25-17-9-5-6-10-18(17)26-15-12-19(22)21(13-15)16(20(23)24)11-14-7-3-2-4-8-14/h5-6,9-10,12,14,16H,2-4,7-8,11,13H2,1H3,(H,23,24).
What are the key properties of 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid?
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid has a molecular weight of 359.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid is sourced from PubChem (CID 66894847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).