4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid

C18H24N4O6 — CID 123699393

About 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid

4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid (PubChem CID 123699393) has the molecular formula C18H24N4O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
• PubChem CID: 123699393
• Molecular Formula: C18H24N4O6
• Molecular Weight: 392.41 g/mol
• Exact Mass: 392.17
• IUPAC Name: 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CC(Oc2ccc(N3CCN(C(=O)O)CC3=O)nc2)C1
• InChI: InChI=1S/C18H24N4O6/c1-18(2,3)28-17(26)21-9-13(10-21)27-12-4-5-14(19-8-12)22-7-6-20(16(24)25)11-15(22)23/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,24,25)
• InChIKey: MJTYTTGMQUKQCB-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 112.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.41
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid?

The IUPAC name of 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid (CID 123699393) is 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid.

What is the SMILES notation for 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid?

The canonical SMILES for 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid is CC(C)(C)OC(=O)N1CC(Oc2ccc(N3CCN(C(=O)O)CC3=O)nc2)C1.

What is the InChIKey of 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid?

The InChIKey is MJTYTTGMQUKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O6/c1-18(2,3)28-17(26)21-9-13(10-21)27-12-4-5-14(19-8-12)22-7-6-20(16(24)25)11-15(22)23/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,24,25).

What are the key properties of 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid?

4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid has a molecular weight of 392.41 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 123699393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).