3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one

C16H21NO5 — CID 23044485

IUPAC3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one
SMILESCOC(c1ccccc1)N1C(=O)C(C2COCO2)C1C(C)O
InChIInChI=1S/C16H21NO5/c1-10(18)14-13(12-8-21-9-22-12)15(19)17(14)16(20-2)11-6-4-3-5-7-11/h3-7,10,12-14,16,18H,8-9H2,1-2H3
InChIKeyNOPYWWCLJLUAMA-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.91
Rot. Bonds5

About 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one

3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one (PubChem CID 23044485) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one
PubChem CID23044485
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one
SMILESCOC(c1ccccc1)N1C(=O)C(C2COCO2)C1C(C)O
InChIInChI=1S/C16H21NO5/c1-10(18)14-13(12-8-21-9-22-12)15(19)17(14)16(20-2)11-6-4-3-5-7-11/h3-7,10,12-14,16,18H,8-9H2,1-2H3
InChIKeyNOPYWWCLJLUAMA-UHFFFAOYSA-N
XLogP0.91
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-4-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-3-[(1R)-1-fluoroethyl]-1-[methoxy(phenyl)methyl]azetidin-2-one
CID 67834540
(3S,4S)-1-Benzhydryl-4-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(S)-1-hydroxyethyl]-2-azetidinone
CID 53391767
(3S,4S)-1-benzhydryl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 53391769
(5S,6R,7S)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one
CID 102308623
(3R,4R)-1-benzyl-4-(hydroxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)azetidin-2-one
CID 13689828
(3S,4S)-1-benzyl-4-(hydroxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)azetidin-2-one
CID 13689829
(3S,4R)-1-benzyl-4-[(1R)-1-hydroxyethyl]-3-(1-phenylmethoxypropan-2-yl)azetidin-2-one
CID 57075997
(3S,4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 57228172
(3S,4S)-4-[(4S)-1,3-dioxolan-4-yl]-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 57260639
(3S,4S)-3-[(1S)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 67833738
(3S,4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one
CID 67834103
(3S,4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-hydroxyethyl)azetidin-2-one
CID 67834104

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one?
The IUPAC name of 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one (CID 23044485) is 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one.
What is the SMILES notation for 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one?
The canonical SMILES for 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one is COC(c1ccccc1)N1C(=O)C(C2COCO2)C1C(C)O.
What is the InChIKey of 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one?
The InChIKey is NOPYWWCLJLUAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-10(18)14-13(12-8-21-9-22-12)15(19)17(14)16(20-2)11-6-4-3-5-7-11/h3-7,10,12-14,16,18H,8-9H2,1-2H3.
What are the key properties of 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one?
3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-4-yl)-4-(1-hydroxyethyl)-1-[methoxy(phenyl)methyl]azetidin-2-one is sourced from PubChem (CID 23044485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).