1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid

C17H29NO3 — CID 63144756

IUPAC1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-2-10-17(16(20)21)11-12-18(13-17)15(19)9-8-14-6-4-3-5-7-14/h14H,2-13H2,1H3,(H,20,21)
InChIKeyXCNQLHSACKVBKY-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds6

About 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63144756) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63144756
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-2-10-17(16(20)21)11-12-18(13-17)15(19)9-8-14-6-4-3-5-7-14/h14H,2-13H2,1H3,(H,20,21)
InChIKeyXCNQLHSACKVBKY-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144926
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
1-(3-methylsulfonylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146034
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
3-cyclohexyl-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 124996744
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147465

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63144756) is 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CCC2CCCCC2)C1.
What is the InChIKey of 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is XCNQLHSACKVBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-10-17(16(20)21)11-12-18(13-17)15(19)9-8-14-6-4-3-5-7-14/h14H,2-13H2,1H3,(H,20,21).
What are the key properties of 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).