3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C11H15N3O4 — CID 116984284

About 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984284) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• PubChem CID: 116984284
• Molecular Formula: C11H15N3O4
• Molecular Weight: 253.26 g/mol
• Exact Mass: 253.11
• IUPAC Name: 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• SMILES: CNC(C(=O)O)c1nc(C(=O)O)c2n1CCCC2
• InChI: InChI=1S/C11H15N3O4/c1-12-8(11(17)18)9-13-7(10(15)16)6-4-2-3-5-14(6)9/h8,12H,2-5H2,1H3,(H,15,16)(H,17,18)
• InChIKey: QJNUKJOUXGJIAG-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 104.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.26
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The IUPAC name of 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984284) is 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

What is the SMILES notation for 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The canonical SMILES for 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CNC(C(=O)O)c1nc(C(=O)O)c2n1CCCC2.

What is the InChIKey of 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The InChIKey is QJNUKJOUXGJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-12-8(11(17)18)9-13-7(10(15)16)6-4-2-3-5-14(6)9/h8,12H,2-5H2,1H3,(H,15,16)(H,17,18).

What are the key properties of 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).