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

C13H19N5O3 — CID 114548843

IUPAC1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CCC(NC(=O)N2CC(n3cc(C(=O)O)nn3)C2)C1
InChIInChI=1S/C13H19N5O3/c1-8-2-3-9(4-8)14-13(21)17-5-10(6-17)18-7-11(12(19)20)15-16-18/h7-10H,2-6H2,1H3,(H,14,21)(H,19,20)
InChIKeyKZXGBLFWRFIDHS-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.73
Rot. Bonds3

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

1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 114548843) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID114548843
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CCC(NC(=O)N2CC(n3cc(C(=O)O)nn3)C2)C1
InChIInChI=1S/C13H19N5O3/c1-8-2-3-9(4-8)14-13(21)17-5-10(6-17)18-7-11(12(19)20)15-16-18/h7-10H,2-6H2,1H3,(H,14,21)(H,19,20)
InChIKeyKZXGBLFWRFIDHS-UHFFFAOYSA-N
XLogP0.73
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(tert-butylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311077
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(pentan-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309678
1-[1-(3-methylpentan-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106330658
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[1-(2-methoxyethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312191
1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310630
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79308962
1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
CID 114548926
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid (CID 114548843) is 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid is CC1CCC(NC(=O)N2CC(n3cc(C(=O)O)nn3)C2)C1.
What is the InChIKey of 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is KZXGBLFWRFIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-8-2-3-9(4-8)14-13(21)17-5-10(6-17)18-7-11(12(19)20)15-16-18/h7-10H,2-6H2,1H3,(H,14,21)(H,19,20).
What are the key properties of 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 114548843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).