2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid

C15H21NO2 — CID 82295855

IUPAC2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
SMILESCN(C)c1ccc(C2CCC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-16(2)14-7-5-12(6-8-14)13-4-3-11(9-13)10-15(17)18/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyRMVOWMJSSCCKJQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.11
Rot. Bonds4

About 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid

2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid (PubChem CID 82295855) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
PubChem CID82295855
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
SMILESCN(C)c1ccc(C2CCC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-16(2)14-7-5-12(6-8-14)13-4-3-11(9-13)10-15(17)18/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyRMVOWMJSSCCKJQ-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
2-[3-(4-methylphenyl)cyclohexyl]acetic acid
CID 3367209
2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid
CID 82303682
3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde
CID 123170690
2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
CID 87555105
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615
2-[4-[4-[3-(dimethylamino)prop-2-enoyl]phenyl]cyclohexyl]acetic acid
CID 69004624
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
CID 174637513

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid (CID 82295855) is 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid is CN(C)c1ccc(C2CCC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid?
The InChIKey is RMVOWMJSSCCKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(2)14-7-5-12(6-8-14)13-4-3-11(9-13)10-15(17)18/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid?
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid is sourced from PubChem (CID 82295855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).