2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid

C13H13N3O3 — CID 64603533

IUPAC2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cn3ccccc3n2)C1
InChIInChI=1S/C13H13N3O3/c17-12(18)5-9-6-16(7-9)13(19)10-8-15-4-2-1-3-11(15)14-10/h1-4,8-9H,5-7H2,(H,17,18)
InChIKeyLGTNTWDMODKZCW-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.88
Rot. Bonds3

About 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid

2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64603533) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64603533
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cn3ccccc3n2)C1
InChIInChI=1S/C13H13N3O3/c17-12(18)5-9-6-16(7-9)13(19)10-8-15-4-2-1-3-11(15)14-10/h1-4,8-9H,5-7H2,(H,17,18)
InChIKeyLGTNTWDMODKZCW-UHFFFAOYSA-N
XLogP0.88
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid (CID 64603533) is 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cn3ccccc3n2)C1.
What is the InChIKey of 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is LGTNTWDMODKZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-12(18)5-9-6-16(7-9)13(19)10-8-15-4-2-1-3-11(15)14-10/h1-4,8-9H,5-7H2,(H,17,18).
What are the key properties of 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 259.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).