4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid

C32H31N3O6 — CID 67531858

About 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid

4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid (PubChem CID 67531858) has the molecular formula C32H31N3O6 and a molecular weight of 553.62 g/mol. Its IUPAC name is 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid.

Molecular Properties

• Compound Name: 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid
• PubChem CID: 67531858
• Molecular Formula: C32H31N3O6
• Molecular Weight: 553.62 g/mol
• Exact Mass: 553.22
• IUPAC Name: 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid
• SMILES: C[C@H](NC(=O)C(CC(=O)O)N1C(=O)C(N2C(=O)OC[C@@H]2c2ccccc2)C1C=Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C32H31N3O6/c1-21(23-13-7-3-8-14-23)33-30(38)26(19-28(36)37)34-25(18-17-22-11-5-2-6-12-22)29(31(34)39)35-27(20-41-32(35)40)24-15-9-4-10-16-24/h2-18,21,25-27,29H,19-20H2,1H3,(H,33,38)(H,36,37)/t21-,25?,26?,27+,29?/m0/s1
• InChIKey: OSYDKQNNJHVJEJ-SOMIELNWSA-N
• XLogP: 4.19
• TPSA: 116.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.62
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid?

The IUPAC name of 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid (CID 67531858) is 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid.

What is the SMILES notation for 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid?

The canonical SMILES for 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid is C[C@H](NC(=O)C(CC(=O)O)N1C(=O)C(N2C(=O)OC[C@@H]2c2ccccc2)C1C=Cc1ccccc1)c1ccccc1.

What is the InChIKey of 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid?

The InChIKey is OSYDKQNNJHVJEJ-SOMIELNWSA-N. The full InChI is InChI=1S/C32H31N3O6/c1-21(23-13-7-3-8-14-23)33-30(38)26(19-28(36)37)34-25(18-17-22-11-5-2-6-12-22)29(31(34)39)35-27(20-41-32(35)40)24-15-9-4-10-16-24/h2-18,21,25-27,29H,19-20H2,1H3,(H,33,38)(H,36,37)/t21-,25?,26?,27+,29?/m0/s1.

What are the key properties of 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid?

4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid has a molecular weight of 553.62 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid is sourced from PubChem (CID 67531858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).