tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate

C23H27NO5 — CID 11395396

IUPACtert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N(C(O)(c2ccccc2)c2ccccc2)[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C23H27NO5/c1-15(25)18-19(21(27)29-22(2,3)4)24(20(18)26)23(28,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-19,25,28H,1-4H3/t15-,18-,19+/m1/s1
InChIKeySWYPHFABQMNRJD-LZQZEXGQSA-N
MW397.47 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate

tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate (PubChem CID 11395396) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate
PubChem CID11395396
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Nametert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N(C(O)(c2ccccc2)c2ccccc2)[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C23H27NO5/c1-15(25)18-19(21(27)29-22(2,3)4)24(20(18)26)23(28,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-19,25,28H,1-4H3/t15-,18-,19+/m1/s1
InChIKeySWYPHFABQMNRJD-LZQZEXGQSA-N
XLogP2.43
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate with MolForge

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Related Compounds

(3S,4S)-4-(2,2-dimethylpropanoyl)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 12074616
(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid
CID 10757399
methyl (2S,3R)-2-[acetyloxy(diphenyl)methyl]-1-[(1S)-2-methoxy-2-oxo-1-phenylethyl]-4-oxoazetidine-3-carboxylate
CID 11081633
ditert-butyl (3S)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidine-2,2-dicarboxylate
CID 11546241
methyl (2R,3S)-2-[acetyloxy(diphenyl)methyl]-1-[(1S)-2-methoxy-2-oxo-1-phenylethyl]-4-oxoazetidine-3-carboxylate
CID 101032646
(2S,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylic acid
CID 134835197
methyl (2S,3S)-3-(1-acetyloxyethyl)-1-benzyl-4-oxoazetidine-2-carboxylate
CID 134943582
tert-butyl (3R)-4-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-methyl-4-oxobutanoate
CID 135055864
methyl (2R,3S)-2-[acetyloxy(diphenyl)methyl]-4-oxo-1-(1-phenylethyl)azetidine-3-carboxylate
CID 135067818
methyl (2S,3R)-2-[acetyloxy(diphenyl)methyl]-4-oxo-1-(1-phenylethyl)azetidine-3-carboxylate
CID 135068028
methyl (2R,3S)-2-[acetyloxy(diphenyl)methyl]-1-(1-methoxy-1-oxopropan-2-yl)-4-oxoazetidine-3-carboxylate
CID 135068303
methyl (2S,3R)-2-[acetyloxy(diphenyl)methyl]-1-(1-methoxy-1-oxopropan-2-yl)-4-oxoazetidine-3-carboxylate
CID 135068304

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate (CID 11395396) is tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate is C[C@@H](O)[C@H]1C(=O)N(C(O)(c2ccccc2)c2ccccc2)[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate?
The InChIKey is SWYPHFABQMNRJD-LZQZEXGQSA-N. The full InChI is InChI=1S/C23H27NO5/c1-15(25)18-19(21(27)29-22(2,3)4)24(20(18)26)23(28,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-19,25,28H,1-4H3/t15-,18-,19+/m1/s1.
What are the key properties of tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate?
tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 11395396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).