2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

C16H24N2O5 — CID 107142416

About 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 107142416) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
• PubChem CID: 107142416
• Molecular Formula: C16H24N2O5
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.17
• IUPAC Name: 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
• SMILES: CC(C)(C)OC(=O)N1CC(CC(=O)O)(NCCc2ccco2)C1
• InChI: InChI=1S/C16H24N2O5/c1-15(2,3)23-14(21)18-10-16(11-18,9-13(19)20)17-7-6-12-5-4-8-22-12/h4-5,8,17H,6-7,9-11H2,1-3H3,(H,19,20)
• InChIKey: ONYRIZCSZBPQKX-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 92.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?

The IUPAC name of 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 107142416) is 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

What is the SMILES notation for 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?

The canonical SMILES for 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)(NCCc2ccco2)C1.

What is the InChIKey of 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?

The InChIKey is ONYRIZCSZBPQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-15(2,3)23-14(21)18-10-16(11-18,9-13(19)20)17-7-6-12-5-4-8-22-12/h4-5,8,17H,6-7,9-11H2,1-3H3,(H,19,20).

What are the key properties of 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?

2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).