2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid

C20H22N2O3 — CID 22347663

About 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid

2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid (PubChem CID 22347663) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid
• PubChem CID: 22347663
• Molecular Formula: C20H22N2O3
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.16
• IUPAC Name: 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid
• SMILES: O=C(O)CC1CC1c1cccc(OCc2ccc3c(n2)NCCC3)c1
• InChI: InChI=1S/C20H22N2O3/c23-19(24)11-15-10-18(15)14-3-1-5-17(9-14)25-12-16-7-6-13-4-2-8-21-20(13)22-16/h1,3,5-7,9,15,18H,2,4,8,10-12H2,(H,21,22)(H,23,24)
• InChIKey: REDUJYTUYIBBQY-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid?

The IUPAC name of 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid (CID 22347663) is 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid.

What is the SMILES notation for 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid?

The canonical SMILES for 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid is O=C(O)CC1CC1c1cccc(OCc2ccc3c(n2)NCCC3)c1.

What is the InChIKey of 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid?

The InChIKey is REDUJYTUYIBBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(24)11-15-10-18(15)14-3-1-5-17(9-14)25-12-16-7-6-13-4-2-8-21-20(13)22-16/h1,3,5-7,9,15,18H,2,4,8,10-12H2,(H,21,22)(H,23,24).

What are the key properties of 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid?

2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid has a molecular weight of 338.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 22347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).