3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid

C15H27NO2 — CID 79862181

IUPAC3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid
SMILESCC1(C)CCCC1N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H27NO2/c1-15(2)9-3-4-13(15)16-10-7-12(8-11-16)5-6-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyVTOJYXOJSJFTAJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds4

About 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid

3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid (PubChem CID 79862181) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid
PubChem CID79862181
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid
SMILESCC1(C)CCCC1N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H27NO2/c1-15(2)9-3-4-13(15)16-10-7-12(8-11-16)5-6-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyVTOJYXOJSJFTAJ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic 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

2-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]ethanamine
CID 79862499
1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid
CID 79863529
1-(2,2-dimethylcyclopentyl)-4-methylpiperidine-4-carboxylic acid
CID 79863319
3-(4,4-dimethylcyclohexyl)propanoic acid
CID 161463484
1-(2,2-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 79853568
3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062636
2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 79862286
3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062639
3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid
CID 112745946
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65059979
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid
CID 65214064
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid (CID 79862181) is 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid is CC1(C)CCCC1N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid?
The InChIKey is VTOJYXOJSJFTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2)9-3-4-13(15)16-10-7-12(8-11-16)5-6-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid?
3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 79862181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).