1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid

C15H24FNO3 — CID 119258132

IUPAC1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCC(CC(=O)N1CCC(F)(C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C15H24FNO3/c1-11(12-5-3-2-4-6-12)9-13(18)17-8-7-15(16,10-17)14(19)20/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyATGLIYXEHXMSQM-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258132) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258132
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCC(CC(=O)N1CCC(F)(C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C15H24FNO3/c1-11(12-5-3-2-4-6-12)9-13(18)17-8-7-15(16,10-17)14(19)20/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyATGLIYXEHXMSQM-UHFFFAOYSA-N
XLogP2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119258132) is 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid is CC(CC(=O)N1CCC(F)(C(=O)O)C1)C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is ATGLIYXEHXMSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-11(12-5-3-2-4-6-12)9-13(18)17-8-7-15(16,10-17)14(19)20/h11-12H,2-10H2,1H3,(H,19,20).
What are the key properties of 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 285.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylbutanoyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).