7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C11H14N4O3 — CID 115348216

IUPAC7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)Cn1ccnn1
InChIInChI=1S/C11H14N4O3/c16-10(6-14-4-3-12-13-14)15-7-1-2-9(15)8(5-7)11(17)18/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyUJJQWQKUHMMNEF-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.26
Rot. Bonds3

About 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 115348216) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID115348216
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)Cn1ccnn1
InChIInChI=1S/C11H14N4O3/c16-10(6-14-4-3-12-13-14)15-7-1-2-9(15)8(5-7)11(17)18/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyUJJQWQKUHMMNEF-UHFFFAOYSA-N
XLogP-0.26
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 115348216) is 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2C(=O)Cn1ccnn1.
What is the InChIKey of 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is UJJQWQKUHMMNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-10(6-14-4-3-12-13-14)15-7-1-2-9(15)8(5-7)11(17)18/h3-4,7-9H,1-2,5-6H2,(H,17,18).
What are the key properties of 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 115348216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).