1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid

C18H25NO2 — CID 117463972

IUPAC1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(CCN3CCCC3)cc2)CCCC1
InChIInChI=1S/C18H25NO2/c20-17(21)18(10-1-2-11-18)16-7-5-15(6-8-16)9-14-19-12-3-4-13-19/h5-8H,1-4,9-14H2,(H,20,21)
InChIKeyRSAOOSMREGZXSR-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.22
Rot. Bonds5

About 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid

1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117463972) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117463972
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(CCN3CCCC3)cc2)CCCC1
InChIInChI=1S/C18H25NO2/c20-17(21)18(10-1-2-11-18)16-7-5-15(6-8-16)9-14-19-12-3-4-13-19/h5-8H,1-4,9-14H2,(H,20,21)
InChIKeyRSAOOSMREGZXSR-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692
1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117440559
1-[4-(2-methylsulfonylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117114132
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
1-[4-(3,3-difluoropropyl)phenyl]cyclobutane-1-carboxylic acid
CID 117388742
1-phenyl-N-(3-piperidin-1-ylpropanoyl)cyclopentane-1-carboxamide
CID 4294813
1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine
CID 117400009
1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid
CID 117113991
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-ol
CID 117403000

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid (CID 117463972) is 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(CCN3CCCC3)cc2)CCCC1.
What is the InChIKey of 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is RSAOOSMREGZXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17(21)18(10-1-2-11-18)16-7-5-15(6-8-16)9-14-19-12-3-4-13-19/h5-8H,1-4,9-14H2,(H,20,21).
What are the key properties of 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117463972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).