1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid

C14H20N4O3 — CID 75356198

IUPAC1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)CCC3CCCC3)C2)nn1
InChIInChI=1S/C14H20N4O3/c19-13(6-5-10-3-1-2-4-10)17-7-11(8-17)18-9-12(14(20)21)15-16-18/h9-11H,1-8H2,(H,20,21)
InChIKeyWQZJVWKNIJMMFM-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.33
Rot. Bonds5

About 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 75356198) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID75356198
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)CCC3CCCC3)C2)nn1
InChIInChI=1S/C14H20N4O3/c19-13(6-5-10-3-1-2-4-10)17-7-11(8-17)18-9-12(14(20)21)15-16-18/h9-11H,1-8H2,(H,20,21)
InChIKeyWQZJVWKNIJMMFM-UHFFFAOYSA-N
XLogP1.33
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312328
1-(1-heptanoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309145
1-[1-[3-(ethylamino)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311071
1-[1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45239626
1-[(3S)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26338863
1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311906
1-[1-(3,4,4-trimethylpentanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311252
1-[1-[3-(1,2,4-triazol-1-yl)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309123
1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311493
1-[1-[cyclopentyl(methyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309643
1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309425

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 75356198) is 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn(C2CN(C(=O)CCC3CCCC3)C2)nn1.
What is the InChIKey of 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is WQZJVWKNIJMMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(6-5-10-3-1-2-4-10)17-7-11(8-17)18-9-12(14(20)21)15-16-18/h9-11H,1-8H2,(H,20,21).
What are the key properties of 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 75356198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).