1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid

C11H15N5O3 — CID 104901262

IUPAC1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)[C@H]3CCCN3)C2)nn1
InChIInChI=1S/C11H15N5O3/c17-10(8-2-1-3-12-8)15-4-7(5-15)16-6-9(11(18)19)13-14-16/h6-8,12H,1-5H2,(H,18,19)/t8-/m1/s1
InChIKeyIQTJBSIXLKSSKA-MRVPVSSYSA-N
MW265.27 g/mol
LogP-0.89
Rot. Bonds3

About 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid

1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 104901262) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID104901262
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)[C@H]3CCCN3)C2)nn1
InChIInChI=1S/C11H15N5O3/c17-10(8-2-1-3-12-8)15-4-7(5-15)16-6-9(11(18)19)13-14-16/h6-8,12H,1-5H2,(H,18,19)/t8-/m1/s1
InChIKeyIQTJBSIXLKSSKA-MRVPVSSYSA-N
XLogP-0.89
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312328
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(oxane-3-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310648
1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311493
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-[cyclopentyl(methyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309643
1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 75356198
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
1-[1-(tert-butylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311077
1-[1-(2-thiomorpholin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308861

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid (CID 104901262) is 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn(C2CN(C(=O)[C@H]3CCCN3)C2)nn1.
What is the InChIKey of 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is IQTJBSIXLKSSKA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N5O3/c17-10(8-2-1-3-12-8)15-4-7(5-15)16-6-9(11(18)19)13-14-16/h6-8,12H,1-5H2,(H,18,19)/t8-/m1/s1.
What are the key properties of 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 104901262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).