1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid

C16H23NO2 — CID 117114182

IUPAC1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)cc(N(C)C)c1C
InChIInChI=1S/C16H23NO2/c1-11-9-13(10-14(12(11)2)17(3)4)16(15(18)19)7-5-6-8-16/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyAXHIROSOLLSRNL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.27
Rot. Bonds3

About 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid

1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid (PubChem CID 117114182) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid
PubChem CID117114182
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)cc(N(C)C)c1C
InChIInChI=1S/C16H23NO2/c1-11-9-13(10-14(12(11)2)17(3)4)16(15(18)19)7-5-6-8-16/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyAXHIROSOLLSRNL-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-[3-(dimethylamino)-4,5-difluorophenyl]cyclopentane-1-carboxylic acid
CID 117114177
5-(1-carboxycyclohexyl)-2,3-dimethylbenzoic acid
CID 117442429
1-(3,4-dihydroxy-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344786
1-(3-methyl-4-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117453832
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117458909
1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481833
1-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]cyclohexane-1-carboxylic acid
CID 117457683
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117311256

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid (CID 117114182) is 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCCC2)cc(N(C)C)c1C.
What is the InChIKey of 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid?
The InChIKey is AXHIROSOLLSRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-9-13(10-14(12(11)2)17(3)4)16(15(18)19)7-5-6-8-16/h9-10H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid?
1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117114182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).