3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid

C22H26N2O3 — CID 22347500

IUPAC3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid
SMILESO=C(O)CCC1CC1c1cccc(OCCc2ccc3c(n2)NCCC3)c1
InChIInChI=1S/C22H26N2O3/c25-21(26)9-7-17-14-20(17)16-3-1-5-19(13-16)27-12-10-18-8-6-15-4-2-11-23-22(15)24-18/h1,3,5-6,8,13,17,20H,2,4,7,9-12,14H2,(H,23,24)(H,25,26)
InChIKeyALPCCUVICZDBAU-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.03
Rot. Bonds8

About 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid

3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid (PubChem CID 22347500) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid
PubChem CID22347500
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid
SMILESO=C(O)CCC1CC1c1cccc(OCCc2ccc3c(n2)NCCC3)c1
InChIInChI=1S/C22H26N2O3/c25-21(26)9-7-17-14-20(17)16-3-1-5-19(13-16)27-12-10-18-8-6-15-4-2-11-23-22(15)24-18/h1,3,5-6,8,13,17,20H,2,4,7,9-12,14H2,(H,23,24)(H,25,26)
InChIKeyALPCCUVICZDBAU-UHFFFAOYSA-N
XLogP4.03
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid?
The IUPAC name of 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid (CID 22347500) is 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid.
What is the SMILES notation for 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid?
The canonical SMILES for 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid is O=C(O)CCC1CC1c1cccc(OCCc2ccc3c(n2)NCCC3)c1.
What is the InChIKey of 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid?
The InChIKey is ALPCCUVICZDBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(26)9-7-17-14-20(17)16-3-1-5-19(13-16)27-12-10-18-8-6-15-4-2-11-23-22(15)24-18/h1,3,5-6,8,13,17,20H,2,4,7,9-12,14H2,(H,23,24)(H,25,26).
What are the key properties of 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid?
3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid has a molecular weight of 366.46 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]propanoic acid is sourced from PubChem (CID 22347500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).