3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid

C14H23NO3 — CID 107175456

IUPAC3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCC1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H23NO3/c1-10-5-3-6-11(10)12(16)15-8-4-7-14(2,9-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyCSYUESXYPMUHIT-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds2

About 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid

3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid (PubChem CID 107175456) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
PubChem CID107175456
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCC1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H23NO3/c1-10-5-3-6-11(10)12(16)15-8-4-7-14(2,9-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyCSYUESXYPMUHIT-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
3-fluoro-1-(2-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 122129365
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
1-(1,1-dioxothiane-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104517586
3-methyl-1-[2-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115731665
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
cis-(1S,2R)-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 106317939
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone
CID 103282581
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid (CID 107175456) is 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid is CC1CCCC1C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid?
The InChIKey is CSYUESXYPMUHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-5-3-6-11(10)12(16)15-8-4-7-14(2,9-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107175456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).