(2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid

C32H32F2N2O6 — CID 69464431

About (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid (PubChem CID 69464431) has the molecular formula C32H32F2N2O6 and a molecular weight of 578.61 g/mol. Its IUPAC name is (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid
• PubChem CID: 69464431
• Molecular Formula: C32H32F2N2O6
• Molecular Weight: 578.61 g/mol
• Exact Mass: 578.22
• IUPAC Name: (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid
• SMILES: CC(C)C[C@@H](NC(=O)COc1ccc(C2C(CCC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)C(=O)O
• InChI: InChI=1S/C32H32F2N2O6/c1-19(2)17-27(32(40)41)35-29(38)18-42-25-13-5-21(6-14-25)30-26(15-16-28(37)20-3-7-22(33)8-4-20)31(39)36(30)24-11-9-23(34)10-12-24/h3-14,19,26-27,30H,15-18H2,1-2H3,(H,35,38)(H,40,41)/t26?,27-,30?/m1/s1
• InChIKey: MUJHICFDAYGTNR-AXOQCKABSA-N
• XLogP: 5.33
• TPSA: 113.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.61
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid?

The IUPAC name of (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid (CID 69464431) is (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid.

What is the SMILES notation for (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid?

The canonical SMILES for (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)COc1ccc(C2C(CCC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)C(=O)O.

What is the InChIKey of (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid?

The InChIKey is MUJHICFDAYGTNR-AXOQCKABSA-N. The full InChI is InChI=1S/C32H32F2N2O6/c1-19(2)17-27(32(40)41)35-29(38)18-42-25-13-5-21(6-14-25)30-26(15-16-28(37)20-3-7-22(33)8-4-20)31(39)36(30)24-11-9-23(34)10-12-24/h3-14,19,26-27,30H,15-18H2,1-2H3,(H,35,38)(H,40,41)/t26?,27-,30?/m1/s1.

What are the key properties of (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid?

(2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 578.61 g/mol, XLogP of 5.33, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 69464431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).