2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid

C23H28N4O3 — CID 135312475

About 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid

2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid (PubChem CID 135312475) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid
• PubChem CID: 135312475
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid
• SMILES: O=C(CCCc1ccc2c(n1)NCCC2)NC1CN(C(C(=O)O)c2ccccc2)C1
• InChI: InChI=1S/C23H28N4O3/c28-20(10-4-9-18-12-11-17-8-5-13-24-22(17)26-18)25-19-14-27(15-19)21(23(29)30)16-6-2-1-3-7-16/h1-3,6-7,11-12,19,21H,4-5,8-10,13-15H2,(H,24,26)(H,25,28)(H,29,30)
• InChIKey: LOSNQVMVANTBGF-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 94.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid?

The IUPAC name of 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid (CID 135312475) is 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid.

What is the SMILES notation for 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid?

The canonical SMILES for 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid is O=C(CCCc1ccc2c(n1)NCCC2)NC1CN(C(C(=O)O)c2ccccc2)C1.

What is the InChIKey of 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid?

The InChIKey is LOSNQVMVANTBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-20(10-4-9-18-12-11-17-8-5-13-24-22(17)26-18)25-19-14-27(15-19)21(23(29)30)16-6-2-1-3-7-16/h1-3,6-7,11-12,19,21H,4-5,8-10,13-15H2,(H,24,26)(H,25,28)(H,29,30).

What are the key properties of 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid?

2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid has a molecular weight of 408.50 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]azetidin-1-yl]acetic acid is sourced from PubChem (CID 135312475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).