tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate

C25H28N2O5 — CID 14132763

IUPACtert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate
SMILESC[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C25H28N2O5/c1-16(23(29)32-25(2,3)4)26-20(18-13-9-6-10-14-18)21(22(26)28)27-19(15-31-24(27)30)17-11-7-5-8-12-17/h5-14,16,19-21H,15H2,1-4H3/t16-,19-,20-,21+/m1/s1
InChIKeyZAXBJBXKQWWZJJ-OTNPHJDUSA-N
MW436.51 g/mol
LogP3.86
Rot. Bonds5

About tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate

tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate (PubChem CID 14132763) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate
PubChem CID14132763
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Nametert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate
SMILESC[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C25H28N2O5/c1-16(23(29)32-25(2,3)4)26-20(18-13-9-6-10-14-18)21(22(26)28)27-19(15-31-24(27)30)17-11-7-5-8-12-17/h5-14,16,19-21H,15H2,1-4H3/t16-,19-,20-,21+/m1/s1
InChIKeyZAXBJBXKQWWZJJ-OTNPHJDUSA-N
XLogP3.86
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate (CID 14132763) is tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate is C[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate?
The InChIKey is ZAXBJBXKQWWZJJ-OTNPHJDUSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-16(23(29)32-25(2,3)4)26-20(18-13-9-6-10-14-18)21(22(26)28)27-19(15-31-24(27)30)17-11-7-5-8-12-17/h5-14,16,19-21H,15H2,1-4H3/t16-,19-,20-,21+/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate?
tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate has a molecular weight of 436.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]propanoate is sourced from PubChem (CID 14132763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).