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

C24H22N2O6 — CID 135226630

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

(3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid (PubChem CID 135226630) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is (3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid.

Molecular Properties

• Compound Name: (3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid
• PubChem CID: 135226630
• Molecular Formula: C24H22N2O6
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.15
• IUPAC Name: (3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid
• SMILES: O=C[C@H](CC(=O)O)N1C(=O)[C@@H](N2C(=O)CO[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1
• InChI: InChI=1S/C24H22N2O6/c27-14-18(13-21(29)30)25-19(12-11-16-7-3-1-4-8-16)22(23(25)31)26-20(28)15-32-24(26)17-9-5-2-6-10-17/h1-12,14,18-19,22,24H,13,15H2,(H,29,30)/b12-11+/t18-,19+,22-,24+/m0/s1
• InChIKey: FPYQEJNXXPATEW-LKTLBEPPSA-N
• XLogP: 1.88
• TPSA: 104.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid (CID 135226630) is (3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid.

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

The canonical SMILES for (3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid is O=C[C@H](CC(=O)O)N1C(=O)[C@@H](N2C(=O)CO[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1.

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

The InChIKey is FPYQEJNXXPATEW-LKTLBEPPSA-N. The full InChI is InChI=1S/C24H22N2O6/c27-14-18(13-21(29)30)25-19(12-11-16-7-3-1-4-8-16)22(23(25)31)26-20(28)15-32-24(26)17-9-5-2-6-10-17/h1-12,14,18-19,22,24H,13,15H2,(H,29,30)/b12-11+/t18-,19+,22-,24+/m0/s1.

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

(3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid has a molecular weight of 434.45 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid is sourced from PubChem (CID 135226630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).