3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid

C20H30N4O4 — CID 142005376

About 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid

3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid (PubChem CID 142005376) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid
• PubChem CID: 142005376
• Molecular Formula: C20H30N4O4
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.23
• IUPAC Name: 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid
• SMILES: CCCN(CC(=O)NCCC(=O)O)C(=O)CCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C20H30N4O4/c1-2-13-24(14-17(25)21-12-10-19(27)28)18(26)7-3-6-16-9-8-15-5-4-11-22-20(15)23-16/h8-9H,2-7,10-14H2,1H3,(H,21,25)(H,22,23)(H,27,28)
• InChIKey: FFDAWPJGYRKBJS-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 111.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid?

The IUPAC name of 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid (CID 142005376) is 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid.

What is the SMILES notation for 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid?

The canonical SMILES for 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid is CCCN(CC(=O)NCCC(=O)O)C(=O)CCCc1ccc2c(n1)NCCC2.

What is the InChIKey of 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid?

The InChIKey is FFDAWPJGYRKBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-2-13-24(14-17(25)21-12-10-19(27)28)18(26)7-3-6-16-9-8-15-5-4-11-22-20(15)23-16/h8-9H,2-7,10-14H2,1H3,(H,21,25)(H,22,23)(H,27,28).

What are the key properties of 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid?

3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid has a molecular weight of 390.48 g/mol, XLogP of 1.59, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[propyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 142005376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).