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

C23H31FN2O6 — CID 122494706

IUPACtert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H31FN2O6/c1-14(19(27)18-11-16(24)12-25(18)21(29)32-23(2,3)4)20(28)26-17(13-31-22(26)30)10-15-8-6-5-7-9-15/h5-9,14,16-19,27H,10-13H2,1-4H3/t14-,16+,17-,18+,19-/m1/s1
InChIKeyBPFJYKMIKLACMB-LZBKUMLDSA-N
MW450.51 g/mol
LogP2.92
Rot. Bonds5

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

tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate (PubChem CID 122494706) has the molecular formula C23H31FN2O6 and a molecular weight of 450.51 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate
PubChem CID122494706
Molecular FormulaC23H31FN2O6
Molecular Weight450.51 g/mol
Exact Mass450.22
IUPAC Nametert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H31FN2O6/c1-14(19(27)18-11-16(24)12-25(18)21(29)32-23(2,3)4)20(28)26-17(13-31-22(26)30)10-15-8-6-5-7-9-15/h5-9,14,16-19,27H,10-13H2,1-4H3/t14-,16+,17-,18+,19-/m1/s1
InChIKeyBPFJYKMIKLACMB-LZBKUMLDSA-N
XLogP2.92
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate (CID 122494706) is tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate is C[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate?
The InChIKey is BPFJYKMIKLACMB-LZBKUMLDSA-N. The full InChI is InChI=1S/C23H31FN2O6/c1-14(19(27)18-11-16(24)12-25(18)21(29)32-23(2,3)4)20(28)26-17(13-31-22(26)30)10-15-8-6-5-7-9-15/h5-9,14,16-19,27H,10-13H2,1-4H3/t14-,16+,17-,18+,19-/m1/s1.
What are the key properties of tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate?
tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate has a molecular weight of 450.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-[(1R,2R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxopropyl]-4-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 122494706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).