2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid

C25H28N2O6 — CID 125009330

About 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid

2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 125009330) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid
• PubChem CID: 125009330
• Molecular Formula: C25H28N2O6
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.19
• IUPAC Name: 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid
• SMILES: C[C@@]1(C2CCN(C(=O)c3cccc(OCC(=O)O)c3)CC2)CN(Cc2ccccc2)C(=O)O1
• InChI: InChI=1S/C25H28N2O6/c1-25(17-27(24(31)33-25)15-18-6-3-2-4-7-18)20-10-12-26(13-11-20)23(30)19-8-5-9-21(14-19)32-16-22(28)29/h2-9,14,20H,10-13,15-17H2,1H3,(H,28,29)/t25-/m0/s1
• InChIKey: VBNOQOLPUIXXFV-VWLOTQADSA-N
• XLogP: 3.41
• TPSA: 96.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid?

The IUPAC name of 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid (CID 125009330) is 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid.

What is the SMILES notation for 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid?

The canonical SMILES for 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid is C[C@@]1(C2CCN(C(=O)c3cccc(OCC(=O)O)c3)CC2)CN(Cc2ccccc2)C(=O)O1.

What is the InChIKey of 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid?

The InChIKey is VBNOQOLPUIXXFV-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-25(17-27(24(31)33-25)15-18-6-3-2-4-7-18)20-10-12-26(13-11-20)23(30)19-8-5-9-21(14-19)32-16-22(28)29/h2-9,14,20H,10-13,15-17H2,1H3,(H,28,29)/t25-/m0/s1.

What are the key properties of 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid?

2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 452.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 125009330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).