(2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid

C22H27N5O3 — CID 154155824

About (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid

(2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid (PubChem CID 154155824) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid.

Molecular Properties

• Compound Name: (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid
• PubChem CID: 154155824
• Molecular Formula: C22H27N5O3
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.21
• IUPAC Name: (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid
• SMILES: O=C(O)[C@@H](CN1CCN(CCCc2ccc3c(n2)NCCC3)C1=O)c1cccnc1
• InChI: InChI=1S/C22H27N5O3/c28-21(29)19(17-5-1-9-23-14-17)15-27-13-12-26(22(27)30)11-3-6-18-8-7-16-4-2-10-24-20(16)25-18/h1,5,7-9,14,19H,2-4,6,10-13,15H2,(H,24,25)(H,28,29)/t19-/m0/s1
• InChIKey: DBHAYWXJKCUNLC-IBGZPJMESA-N
• XLogP: 2.37
• TPSA: 98.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid?

The IUPAC name of (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid (CID 154155824) is (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid.

What is the SMILES notation for (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid?

The canonical SMILES for (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid is O=C(O)[C@@H](CN1CCN(CCCc2ccc3c(n2)NCCC3)C1=O)c1cccnc1.

What is the InChIKey of (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid?

The InChIKey is DBHAYWXJKCUNLC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5O3/c28-21(29)19(17-5-1-9-23-14-17)15-27-13-12-26(22(27)30)11-3-6-18-8-7-16-4-2-10-24-20(16)25-18/h1,5,7-9,14,19H,2-4,6,10-13,15H2,(H,24,25)(H,28,29)/t19-/m0/s1.

What are the key properties of (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid?

(2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid has a molecular weight of 409.49 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 154155824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).