tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate

C32H38F2N2O7 — CID 67316359

About tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate (PubChem CID 67316359) has the molecular formula C32H38F2N2O7 and a molecular weight of 600.66 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate
• PubChem CID: 67316359
• Molecular Formula: C32H38F2N2O7
• Molecular Weight: 600.66 g/mol
• Exact Mass: 600.26
• IUPAC Name: tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate
• SMILES: C=CCO[C@@H]1C[C@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)N(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C32H38F2N2O7/c1-5-11-41-25-17-27(35(18-25)30(39)43-32(2,3)4)28(37)26(15-21-12-22(33)16-23(34)13-21)29(38)36-24(19-42-31(36)40)14-20-9-7-6-8-10-20/h5-10,12-13,16,24-28,37H,1,11,14-15,17-19H2,2-4H3/t24-,25+,26-,27+,28-/m0/s1
• InChIKey: KPNAUHFWBDVZDR-BIJRFUASSA-N
• XLogP: 4.66
• TPSA: 105.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.66
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate (CID 67316359) is tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate is C=CCO[C@@H]1C[C@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)N(C(=O)OC(C)(C)C)C1.

What is the InChIKey of tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate?

The InChIKey is KPNAUHFWBDVZDR-BIJRFUASSA-N. The full InChI is InChI=1S/C32H38F2N2O7/c1-5-11-41-25-17-27(35(18-25)30(39)43-32(2,3)4)28(37)26(15-21-12-22(33)16-23(34)13-21)29(38)36-24(19-42-31(36)40)14-20-9-7-6-8-10-20/h5-10,12-13,16,24-28,37H,1,11,14-15,17-19H2,2-4H3/t24-,25+,26-,27+,28-/m0/s1.

What are the key properties of tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate?

tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate has a molecular weight of 600.66 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 67316359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).