3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid

C14H25NO2 — CID 103565147

IUPAC3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid
SMILESCC(C)C1CC(N2CCCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C14H25NO2/c1-10(2)11-7-12(8-11)15-6-4-5-14(3,9-15)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyOUMIVLOPRBRAIA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.61
Rot. Bonds3

About 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid

3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid (PubChem CID 103565147) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid
PubChem CID103565147
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid
SMILESCC(C)C1CC(N2CCCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C14H25NO2/c1-10(2)11-7-12(8-11)15-6-4-5-14(3,9-15)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyOUMIVLOPRBRAIA-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103961419
3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid
CID 106984768
1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
CID 65069203
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
CID 65063878
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
3-methyl-1-propan-2-ylsulfinylpiperidine-3-carboxylic acid
CID 131182189
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid
CID 63136915

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid (CID 103565147) is 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid is CC(C)C1CC(N2CCCC(C)(C(=O)O)C2)C1.
What is the InChIKey of 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid?
The InChIKey is OUMIVLOPRBRAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)11-7-12(8-11)15-6-4-5-14(3,9-15)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid?
3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 103565147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).