4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid

C18H27N3O3 — CID 166706878

About 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid

4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid (PubChem CID 166706878) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid.

Molecular Properties

• Compound Name: 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid
• PubChem CID: 166706878
• Molecular Formula: C18H27N3O3
• Molecular Weight: 333.43 g/mol
• Exact Mass: 333.21
• IUPAC Name: 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid
• SMILES: O=C(O)C(CCO)NC1CC(CCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C18H27N3O3/c22-9-7-16(18(23)24)20-15-10-12(11-15)3-5-14-6-4-13-2-1-8-19-17(13)21-14/h4,6,12,15-16,20,22H,1-3,5,7-11H2,(H,19,21)(H,23,24)
• InChIKey: SNVCQQCZLNQNCH-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 94.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.43
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid?

The IUPAC name of 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid (CID 166706878) is 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid.

What is the SMILES notation for 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid?

The canonical SMILES for 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid is O=C(O)C(CCO)NC1CC(CCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid?

The InChIKey is SNVCQQCZLNQNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-9-7-16(18(23)24)20-15-10-12(11-15)3-5-14-6-4-13-2-1-8-19-17(13)21-14/h4,6,12,15-16,20,22H,1-3,5,7-11H2,(H,19,21)(H,23,24).

What are the key properties of 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid?

4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid has a molecular weight of 333.43 g/mol, XLogP of 1.58, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]amino]butanoic acid is sourced from PubChem (CID 166706878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).