1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid

C11H16N4O2 — CID 129493827

IUPAC1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn([C@@H]2CCN(C3CCC3)C2)nn1
InChIInChI=1S/C11H16N4O2/c16-11(17)10-7-15(13-12-10)9-4-5-14(6-9)8-2-1-3-8/h7-9H,1-6H2,(H,16,17)/t9-/m1/s1
InChIKeyCIRQUFYPNBUIQJ-SECBINFHSA-N
MW236.27 g/mol
LogP0.78
Rot. Bonds3

About 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid

1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid (PubChem CID 129493827) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
PubChem CID129493827
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn([C@@H]2CCN(C3CCC3)C2)nn1
InChIInChI=1S/C11H16N4O2/c16-11(17)10-7-15(13-12-10)9-4-5-14(6-9)8-2-1-3-8/h7-9H,1-6H2,(H,16,17)/t9-/m1/s1
InChIKeyCIRQUFYPNBUIQJ-SECBINFHSA-N
XLogP0.78
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129494797
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
1-[1-(3,3-dimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316647
1-[1-(2-ethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308948
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309425
1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole
CID 121184481
1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole
CID 121184482
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 25381434
1-[1-[cyclopentyl(methyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309643

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid (CID 129493827) is 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn([C@@H]2CCN(C3CCC3)C2)nn1.
What is the InChIKey of 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is CIRQUFYPNBUIQJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-11(17)10-7-15(13-12-10)9-4-5-14(6-9)8-2-1-3-8/h7-9H,1-6H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid?
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 129493827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).