benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate

C24H29NO5 — CID 74001429

IUPACbenzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
SMILESCC(OC(=O)OCc1ccccc1)C1C(=O)NC1C(C)(CO)C(C)c1ccccc1
InChIInChI=1S/C24H29NO5/c1-16(19-12-8-5-9-13-19)24(3,15-26)21-20(22(27)25-21)17(2)30-23(28)29-14-18-10-6-4-7-11-18/h4-13,16-17,20-21,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyRFFNJXMAJKOHLJ-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.65
Rot. Bonds8

About benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate

benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate (PubChem CID 74001429) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate.

Molecular Properties

Compound Namebenzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
PubChem CID74001429
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Namebenzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
SMILESCC(OC(=O)OCc1ccccc1)C1C(=O)NC1C(C)(CO)C(C)c1ccccc1
InChIInChI=1S/C24H29NO5/c1-16(19-12-8-5-9-13-19)24(3,15-26)21-20(22(27)25-21)17(2)30-23(28)29-14-18-10-6-4-7-11-18/h4-13,16-17,20-21,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyRFFNJXMAJKOHLJ-UHFFFAOYSA-N
XLogP3.65
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl [(1R)-1-[(2S,3S)-2-(1-hydroxypropan-2-yl)-4-oxoazetidin-3-yl]ethyl] carbonate
CID 70460094
benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate
CID 177466679
tert-butyl 2-[(2S,3S)-2-[(2R)-1-hydroxypropan-2-yl]-4-oxo-3-[(1R)-1-phenylmethoxycarbonyloxyethyl]azetidin-1-yl]acetate
CID 139757968
[(1S)-1-[(2R,3S)-2-(2-hydroxyethyl)-4-oxoazetidin-3-yl]ethyl] (4-nitrophenyl)methyl carbonate
CID 56606203
benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
benzyl [(1R)-1-[(2R,3S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[(2R)-3-dimethylsilyloxy-4,4-dimethylpentan-2-yl]-4-oxoazetidin-3-yl]ethyl] carbonate
CID 173413439
benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-(1-chloropropan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
CID 70356313
(2S,3S)-2-[(1S)-1-(methylcarbamoyloxy)ethyl]-4-oxo-3-[(1R)-1-phenylmethoxycarbonyloxyethyl]azetidine-1-sulfonate
CID 23259058
2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
CID 19933355
benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate
CID 13471581
benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate
CID 173345580
benzyl [(1R)-1-[(2S,3S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]ethyl] carbonate
CID 67796524

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate?
The IUPAC name of benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate (CID 74001429) is benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate.
What is the SMILES notation for benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate?
The canonical SMILES for benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate is CC(OC(=O)OCc1ccccc1)C1C(=O)NC1C(C)(CO)C(C)c1ccccc1.
What is the InChIKey of benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate?
The InChIKey is RFFNJXMAJKOHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-16(19-12-8-5-9-13-19)24(3,15-26)21-20(22(27)25-21)17(2)30-23(28)29-14-18-10-6-4-7-11-18/h4-13,16-17,20-21,26H,14-15H2,1-3H3,(H,25,27).
What are the key properties of benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate?
benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate has a molecular weight of 411.50 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate is sourced from PubChem (CID 74001429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).