2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid

C40H58N8O9 — CID 142419199

About 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid

2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid (PubChem CID 142419199) has the molecular formula C40H58N8O9 and a molecular weight of 794.95 g/mol. Its IUPAC name is 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid
• PubChem CID: 142419199
• Molecular Formula: C40H58N8O9
• Molecular Weight: 794.95 g/mol
• Exact Mass: 794.43
• IUPAC Name: 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid
• SMILES: CC(=O)NC(C(=O)O)C1(O)CN(C(=O)CCCCc2ccc3c(n2)NCCC3)C1.CC(=O)NC(C(=O)O)C1(O)CN(CCCCCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C20H28N4O5.C20H30N4O4/c1-13(25)22-17(19(27)28)20(29)11-24(12-20)16(26)7-3-2-6-15-9-8-14-5-4-10-21-18(14)23-15;1-14(25)22-17(19(26)27)20(28)12-24(13-20)11-4-2-3-7-16-9-8-15-6-5-10-21-18(15)23-16/h8-9,17,29H,2-7,10-12H2,1H3,(H,21,23)(H,22,25)(H,27,28);8-9,17,28H,2-7,10-13H2,1H3,(H,21,23)(H,22,25)(H,26,27)
• InChIKey: WNYAQEORPXPLPJ-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 246.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	794.95
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid?

The IUPAC name of 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid (CID 142419199) is 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid.

What is the SMILES notation for 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid?

The canonical SMILES for 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid is CC(=O)NC(C(=O)O)C1(O)CN(C(=O)CCCCc2ccc3c(n2)NCCC3)C1.CC(=O)NC(C(=O)O)C1(O)CN(CCCCCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid?

The InChIKey is WNYAQEORPXPLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5.C20H30N4O4/c1-13(25)22-17(19(27)28)20(29)11-24(12-20)16(26)7-3-2-6-15-9-8-14-5-4-10-21-18(14)23-15;1-14(25)22-17(19(26)27)20(28)12-24(13-20)11-4-2-3-7-16-9-8-15-6-5-10-21-18(15)23-16/h8-9,17,29H,2-7,10-12H2,1H3,(H,21,23)(H,22,25)(H,27,28);8-9,17,28H,2-7,10-13H2,1H3,(H,21,23)(H,22,25)(H,26,27).

What are the key properties of 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid?

2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid has a molecular weight of 794.95 g/mol, XLogP of 1.10, 17 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid;2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 142419199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).