3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid

C16H20N4O3 — CID 175415997

IUPAC3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid
SMILESCN(C(=O)C1CN(C(=O)O)C1)C(C)(C)c1cnc2ccccn12
InChIInChI=1S/C16H20N4O3/c1-16(2,12-8-17-13-6-4-5-7-20(12)13)18(3)14(21)11-9-19(10-11)15(22)23/h4-8,11H,9-10H2,1-3H3,(H,22,23)
InChIKeyYAUATGPVHFPWIH-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.64
Rot. Bonds3

About 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid

3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid (PubChem CID 175415997) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid
PubChem CID175415997
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid
SMILESCN(C(=O)C1CN(C(=O)O)C1)C(C)(C)c1cnc2ccccn12
InChIInChI=1S/C16H20N4O3/c1-16(2,12-8-17-13-6-4-5-7-20(12)13)18(3)14(21)11-9-19(10-11)15(22)23/h4-8,11H,9-10H2,1-3H3,(H,22,23)
InChIKeyYAUATGPVHFPWIH-UHFFFAOYSA-N
XLogP1.64
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid (CID 175415997) is 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid is CN(C(=O)C1CN(C(=O)O)C1)C(C)(C)c1cnc2ccccn12.
What is the InChIKey of 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid?
The InChIKey is YAUATGPVHFPWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(2,12-8-17-13-6-4-5-7-20(12)13)18(3)14(21)11-9-19(10-11)15(22)23/h4-8,11H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid?
3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 175415997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).