2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid

C11H15N3O4 — CID 57151914

IUPAC2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid
SMILESCCOC(=O)Cc1nc2c([nH]1)CN(C(=O)O)CC2
InChIInChI=1S/C11H15N3O4/c1-2-18-10(15)5-9-12-7-3-4-14(11(16)17)6-8(7)13-9/h2-6H2,1H3,(H,12,13)(H,16,17)
InChIKeyLHVQQKPZUDTROL-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.55
Rot. Bonds3

About 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid

2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 57151914) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid
PubChem CID57151914
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid
SMILESCCOC(=O)Cc1nc2c([nH]1)CN(C(=O)O)CC2
InChIInChI=1S/C11H15N3O4/c1-2-18-10(15)5-9-12-7-3-4-14(11(16)17)6-8(7)13-9/h2-6H2,1H3,(H,12,13)(H,16,17)
InChIKeyLHVQQKPZUDTROL-UHFFFAOYSA-N
XLogP0.55
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid (CID 57151914) is 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid is CCOC(=O)Cc1nc2c([nH]1)CN(C(=O)O)CC2.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is LHVQQKPZUDTROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-18-10(15)5-9-12-7-3-4-14(11(16)17)6-8(7)13-9/h2-6H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid?
2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 57151914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).