[(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate

C15H19NO5 — CID 10968351

IUPAC[(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate
SMILESCOc1ccc(N2C(=O)[C@@H]([C@@H](C)OC(C)=O)[C@@H]2CO)cc1
InChIInChI=1S/C15H19NO5/c1-9(21-10(2)18)14-13(8-17)16(15(14)19)11-4-6-12(20-3)7-5-11/h4-7,9,13-14,17H,8H2,1-3H3/t9-,13+,14+/m1/s1
InChIKeyCIFIUDYZEOGOEE-IIMNLJJBSA-N
MW293.32 g/mol
LogP0.97
Rot. Bonds5

About [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate

[(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate (PubChem CID 10968351) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate
PubChem CID10968351
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate
SMILESCOc1ccc(N2C(=O)[C@@H]([C@@H](C)OC(C)=O)[C@@H]2CO)cc1
InChIInChI=1S/C15H19NO5/c1-9(21-10(2)18)14-13(8-17)16(15(14)19)11-4-6-12(20-3)7-5-11/h4-7,9,13-14,17H,8H2,1-3H3/t9-,13+,14+/m1/s1
InChIKeyCIFIUDYZEOGOEE-IIMNLJJBSA-N
XLogP0.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate with MolForge

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Related Compounds

ethyl (2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-propan-2-ylazetidine-2-carboxylate
CID 11162120
ethyl (2S,3S)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 11748384
methyl 2-[(2S)-2,3-diacetyloxypropyl]-1-(4-methoxyphenyl)-4-oxoazetidine-3-carboxylate
CID 15441546
methyl (2R,3R)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14704918
(3R,4R)-4-(diethoxymethyl)-3-[(1S)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14207077
(3S,4S)-4-benzoyl-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14084672
[(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate
CID 59894606
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14486394
(3aR,6R,6aR)-6-methoxy-3-(4-methoxyphenyl)-1-(2-methylpropyl)-6,6a-dihydro-3aH-cyclopenta[d]imidazol-2-one
CID 155426100
(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-[(E)-3-oxobut-1-enyl]azetidin-2-one
CID 101112443

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate?
The IUPAC name of [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate (CID 10968351) is [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate is COc1ccc(N2C(=O)[C@@H]([C@@H](C)OC(C)=O)[C@@H]2CO)cc1.
What is the InChIKey of [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate?
The InChIKey is CIFIUDYZEOGOEE-IIMNLJJBSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(21-10(2)18)14-13(8-17)16(15(14)19)11-4-6-12(20-3)7-5-11/h4-7,9,13-14,17H,8H2,1-3H3/t9-,13+,14+/m1/s1.
What are the key properties of [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate?
[(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate has a molecular weight of 293.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate is sourced from PubChem (CID 10968351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).