1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid

C16H27NO3 — CID 107175468

IUPAC1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CCCC2(C)C)C1
InChIInChI=1S/C16H27NO3/c1-4-7-16(14(19)20)9-10-17(11-16)13(18)12-6-5-8-15(12,2)3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyKRGKDYQMLWMEJY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds4

About 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 107175468) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID107175468
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CCCC2(C)C)C1
InChIInChI=1S/C16H27NO3/c1-4-7-16(14(19)20)9-10-17(11-16)13(18)12-6-5-8-15(12,2)3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyKRGKDYQMLWMEJY-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104901135
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 104919981
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
1-(2-oxo-1,3-thiazolidine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144812
1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144756
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66371677

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid (CID 107175468) is 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2CCCC2(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is KRGKDYQMLWMEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-7-16(14(19)20)9-10-17(11-16)13(18)12-6-5-8-15(12,2)3/h12H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107175468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).