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

C23H27NO4 — CID 13433758

IUPACtert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate
SMILESC[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H27NO4/c1-16(22(26)28-23(2,3)4)24-19(18-13-9-6-10-14-18)20(21(24)25)27-15-17-11-7-5-8-12-17/h5-14,16,19-20H,15H2,1-4H3/t16-,19-,20+/m0/s1
InChIKeyUETKXYKRCMDKMN-FFZOFVMBSA-N
MW381.47 g/mol
LogP3.89
Rot. Bonds6

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

tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate (PubChem CID 13433758) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate
PubChem CID13433758
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Nametert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate
SMILESC[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H27NO4/c1-16(22(26)28-23(2,3)4)24-19(18-13-9-6-10-14-18)20(21(24)25)27-15-17-11-7-5-8-12-17/h5-14,16,19-20H,15H2,1-4H3/t16-,19-,20+/m0/s1
InChIKeyUETKXYKRCMDKMN-FFZOFVMBSA-N
XLogP3.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
O1-benzyl O2-tert-butyl 2-benzylazetidine-1,2-dicarboxylate
CID 3009564
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
benzyl 2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428418
(S)-benzyl 4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanoate
CID 44428420
Benzyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
CID 9817974
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
Acetic acid cyclohexylcarbamoyl-phenyl-methyl ester
CID 646446
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
ethyl (E)-2-[[(2R,3S)-2-(2-bromophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134142026
Benzyl 1-[2-(butylamino)-2-oxo-1-phenyl-ethyl]-4-oxo-azetidine-2-carboxylate
CID 5278774

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate (CID 13433758) is tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate is C[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate?
The InChIKey is UETKXYKRCMDKMN-FFZOFVMBSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16(22(26)28-23(2,3)4)24-19(18-13-9-6-10-14-18)20(21(24)25)27-15-17-11-7-5-8-12-17/h5-14,16,19-20H,15H2,1-4H3/t16-,19-,20+/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate?
tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate has a molecular weight of 381.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate is sourced from PubChem (CID 13433758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).