2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid

C15H26N2O7 — CID 165457653

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid (PubChem CID 165457653) has the molecular formula C15H26N2O7 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid
• PubChem CID: 165457653
• Molecular Formula: C15H26N2O7
• Molecular Weight: 346.38 g/mol
• Exact Mass: 346.17
• IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid
• SMILES: CC(C)(C)OC(=O)NOC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C15H26N2O7/c1-13(2,3)22-11(20)16-24-15(7-10(18)19)8-17(9-15)12(21)23-14(4,5)6/h7-9H2,1-6H3,(H,16,20)(H,18,19)
• InChIKey: YULXQXRLQQFWPG-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.38
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid (CID 165457653) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid.

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

The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid is CC(C)(C)OC(=O)NOC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1.

What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid?

The InChIKey is YULXQXRLQQFWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O7/c1-13(2,3)22-11(20)16-24-15(7-10(18)19)8-17(9-15)12(21)23-14(4,5)6/h7-9H2,1-6H3,(H,16,20)(H,18,19).

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

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid has a molecular weight of 346.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid is sourced from PubChem (CID 165457653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).