1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid

C17H25NO3 — CID 117470761

IUPAC1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(CCN(C)C)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C17H25NO3/c1-18(2)11-8-13-6-7-15(21-3)14(12-13)17(16(19)20)9-4-5-10-17/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,20)
InChIKeyHEVJZOKOVHGYNB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.70
Rot. Bonds6

About 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid

1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid (PubChem CID 117470761) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid
PubChem CID117470761
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(CCN(C)C)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C17H25NO3/c1-18(2)11-8-13-6-7-15(21-3)14(12-13)17(16(19)20)9-4-5-10-17/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,20)
InChIKeyHEVJZOKOVHGYNB-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(dimethylamino)methyl]-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412822
1-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117489779
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117445897
1-[3-[(dimethylamino)methyl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412824
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclohexane-1-carboxylic acid
CID 117477555
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid (CID 117470761) is 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid is COc1ccc(CCN(C)C)cc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid?
The InChIKey is HEVJZOKOVHGYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18(2)11-8-13-6-7-15(21-3)14(12-13)17(16(19)20)9-4-5-10-17/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid?
1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117470761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).