4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid

C17H25NO4S — CID 136550804

IUPAC4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
SMILESCOC1CCCC1C1COCCN1Cc1cc(C(=O)O)sc1C
InChIInChI=1S/C17H25NO4S/c1-11-12(8-16(23-11)17(19)20)9-18-6-7-22-10-14(18)13-4-3-5-15(13)21-2/h8,13-15H,3-7,9-10H2,1-2H3,(H,19,20)
InChIKeyNQTHIMPFTDCVKS-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.77
Rot. Bonds5

About 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid

4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 136550804) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
PubChem CID136550804
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
SMILESCOC1CCCC1C1COCCN1Cc1cc(C(=O)O)sc1C
InChIInChI=1S/C17H25NO4S/c1-11-12(8-16(23-11)17(19)20)9-18-6-7-22-10-14(18)13-4-3-5-15(13)21-2/h8,13-15H,3-7,9-10H2,1-2H3,(H,19,20)
InChIKeyNQTHIMPFTDCVKS-UHFFFAOYSA-N
XLogP2.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 136550788
5-[[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 164639099
4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
CID 164641944
4-[[2-(Ethoxymethyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 136574735
4-[(4-Ethyl-4-hydroxypiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 136574777
4-{5-[1-(Morpholin-4-yl)ethyl]thiophen-2-yl}benzoic acid
CID 58256931
7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
CID 68588263
5-[[[2-[[(3S)-1-methylpiperidin-3-yl]methoxy]-2-oxo-1-phenylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 124107912
5-[[[2-(1-Methylpiperidin-4-yl)oxy-2-oxo-1-phenylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 130473047
5-[[[2-[[(3R)-1-methylpiperidin-3-yl]methoxy]-2-oxo-1-phenylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 138469805
5-[[[2-[(1-Methylpiperidin-4-yl)methoxy]-2-oxo-1-phenylethyl]amino]methyl]thiophene-3-carboxylic acid
CID 138469811
5-[[[2-[(1-Methylpiperidin-4-yl)methoxy]-2-oxo-1-phenylethyl]-(oxetan-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 138469864

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid (CID 136550804) is 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid is COC1CCCC1C1COCCN1Cc1cc(C(=O)O)sc1C.
What is the InChIKey of 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is NQTHIMPFTDCVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-11-12(8-16(23-11)17(19)20)9-18-6-7-22-10-14(18)13-4-3-5-15(13)21-2/h8,13-15H,3-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid?
4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 339.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxycyclopentyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 136550804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).