5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid

C14H17N3O3 — CID 91718678

IUPAC5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C14H17N3O3/c18-13(5-3-6-14(19)20)15-8-7-11-10-17-9-2-1-4-12(17)16-11/h1-2,4,9-10H,3,5-8H2,(H,15,18)(H,19,20)
InChIKeyPLSXHZRXZMJYQX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.25
Rot. Bonds7

About 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid

5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid (PubChem CID 91718678) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid
PubChem CID91718678
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C14H17N3O3/c18-13(5-3-6-14(19)20)15-8-7-11-10-17-9-2-1-4-12(17)16-11/h1-2,4,9-10H,3,5-8H2,(H,15,18)(H,19,20)
InChIKeyPLSXHZRXZMJYQX-UHFFFAOYSA-N
XLogP1.25
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid (CID 91718678) is 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NCCc1cn2ccccc2n1.
What is the InChIKey of 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid?
The InChIKey is PLSXHZRXZMJYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(5-3-6-14(19)20)15-8-7-11-10-17-9-2-1-4-12(17)16-11/h1-2,4,9-10H,3,5-8H2,(H,15,18)(H,19,20).
What are the key properties of 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid?
5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 91718678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).