methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate

C19H25NO6 — CID 88601335

IUPACmethyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate
SMILESCCC1C(=O)N(OCc2ccccc2)C1CC1(CC(=O)OC)CCOO1
InChIInChI=1S/C19H25NO6/c1-3-15-16(11-19(9-10-25-26-19)12-17(21)23-2)20(18(15)22)24-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3
InChIKeyCDRPYTJJGJRTJW-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.40
Rot. Bonds8

About methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate

methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate (PubChem CID 88601335) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate
PubChem CID88601335
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Namemethyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate
SMILESCCC1C(=O)N(OCc2ccccc2)C1CC1(CC(=O)OC)CCOO1
InChIInChI=1S/C19H25NO6/c1-3-15-16(11-19(9-10-25-26-19)12-17(21)23-2)20(18(15)22)24-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3
InChIKeyCDRPYTJJGJRTJW-UHFFFAOYSA-N
XLogP2.40
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate?
The IUPAC name of methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate (CID 88601335) is methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate is CCC1C(=O)N(OCc2ccccc2)C1CC1(CC(=O)OC)CCOO1.
What is the InChIKey of methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate?
The InChIKey is CDRPYTJJGJRTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-3-15-16(11-19(9-10-25-26-19)12-17(21)23-2)20(18(15)22)24-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3.
What are the key properties of methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate?
methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate has a molecular weight of 363.41 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate is sourced from PubChem (CID 88601335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).