tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate

C23H27FN2O4 — CID 10364462

IUPACtert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O4/c1-15(25-22(28)30-23(2,3)4)19-20(29-14-16-8-6-5-7-9-16)21(27)26(19)18-12-10-17(24)11-13-18/h5-13,15,19-20H,14H2,1-4H3,(H,25,28)/t15-,19+,20-/m0/s1
InChIKeyBSQIZUJCGFHXHC-BEVDRBHNSA-N
MW414.48 g/mol
LogP4.04
Rot. Bonds6

About tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate (PubChem CID 10364462) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate
PubChem CID10364462
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Nametert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O4/c1-15(25-22(28)30-23(2,3)4)19-20(29-14-16-8-6-5-7-9-16)21(27)26(19)18-12-10-17(24)11-13-18/h5-13,15,19-20H,14H2,1-4H3,(H,25,28)/t15-,19+,20-/m0/s1
InChIKeyBSQIZUJCGFHXHC-BEVDRBHNSA-N
XLogP4.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
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tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate
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benzyl N-[(2S)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
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tert-butyl N-[(2R)-1-[[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate (CID 10364462) is tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate?
The InChIKey is BSQIZUJCGFHXHC-BEVDRBHNSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-15(25-22(28)30-23(2,3)4)19-20(29-14-16-8-6-5-7-9-16)21(27)26(19)18-12-10-17(24)11-13-18/h5-13,15,19-20H,14H2,1-4H3,(H,25,28)/t15-,19+,20-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate has a molecular weight of 414.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 10364462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).