1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid

C17H23NO2 — CID 117436357

IUPAC1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCC(c2cccc(C3(C(=O)O)CCCC3)c2)C1
InChIInChI=1S/C17H23NO2/c1-18-10-7-14(12-18)13-5-4-6-15(11-13)17(16(19)20)8-2-3-9-17/h4-6,11,14H,2-3,7-10,12H2,1H3,(H,19,20)
InChIKeyGYNLZVRIZAFTCK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.00
Rot. Bonds3

About 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid

1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117436357) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117436357
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCC(c2cccc(C3(C(=O)O)CCCC3)c2)C1
InChIInChI=1S/C17H23NO2/c1-18-10-7-14(12-18)13-5-4-6-15(11-13)17(16(19)20)8-2-3-9-17/h4-6,11,14H,2-3,7-10,12H2,1H3,(H,19,20)
InChIKeyGYNLZVRIZAFTCK-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
CID 117362913
1-[2-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436356
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
CID 117399711
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
1-[3-(oxan-4-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117405075
1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine
CID 66742877
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454
3-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 22856989
1-[2-(1-methylazetidin-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117436365
CID 176580102
CID 176580102

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid (CID 117436357) is 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid is CN1CCC(c2cccc(C3(C(=O)O)CCCC3)c2)C1.
What is the InChIKey of 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is GYNLZVRIZAFTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-10-7-14(12-18)13-5-4-6-15(11-13)17(16(19)20)8-2-3-9-17/h4-6,11,14H,2-3,7-10,12H2,1H3,(H,19,20).
What are the key properties of 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid?
1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117436357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).