3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid

C21H30N4O3 — CID 142348303

About 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid

3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid (PubChem CID 142348303) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid
• PubChem CID: 142348303
• Molecular Formula: C21H30N4O3
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.23
• IUPAC Name: 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid
• SMILES: O=C(O)CCNC(=O)C1CC2(C1)CN(CCCc1ccc3c(n1)NCCC3)C2
• InChI: InChI=1S/C21H30N4O3/c26-18(27)7-9-23-20(28)16-11-21(12-16)13-25(14-21)10-2-4-17-6-5-15-3-1-8-22-19(15)24-17/h5-6,16H,1-4,7-14H2,(H,22,24)(H,23,28)(H,26,27)
• InChIKey: HIAVKNCSWHSIED-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 94.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid?

The IUPAC name of 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid (CID 142348303) is 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid.

What is the SMILES notation for 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid?

The canonical SMILES for 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1CC2(C1)CN(CCCc1ccc3c(n1)NCCC3)C2.

What is the InChIKey of 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid?

The InChIKey is HIAVKNCSWHSIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-18(27)7-9-23-20(28)16-11-21(12-16)13-25(14-21)10-2-4-17-6-5-15-3-1-8-22-19(15)24-17/h5-6,16H,1-4,7-14H2,(H,22,24)(H,23,28)(H,26,27).

What are the key properties of 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid?

3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid has a molecular weight of 386.50 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid is sourced from PubChem (CID 142348303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).