2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid

C9H15NO5 — CID 14623845

IUPAC2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid
SMILESCOCOC(C)C1C(=O)NC1CC(=O)O
InChIInChI=1S/C9H15NO5/c1-5(15-4-14-2)8-6(3-7(11)12)10-9(8)13/h5-6,8H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyZBGIFHCEOFUPBP-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.42
Rot. Bonds6

About 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid

2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid (PubChem CID 14623845) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid
PubChem CID14623845
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid
SMILESCOCOC(C)C1C(=O)NC1CC(=O)O
InChIInChI=1S/C9H15NO5/c1-5(15-4-14-2)8-6(3-7(11)12)10-9(8)13/h5-6,8H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyZBGIFHCEOFUPBP-UHFFFAOYSA-N
XLogP-0.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid?
The IUPAC name of 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid (CID 14623845) is 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid is COCOC(C)C1C(=O)NC1CC(=O)O.
What is the InChIKey of 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid?
The InChIKey is ZBGIFHCEOFUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-5(15-4-14-2)8-6(3-7(11)12)10-9(8)13/h5-6,8H,3-4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid?
2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid has a molecular weight of 217.22 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methoxymethoxy)ethyl]-4-oxoazetidin-2-yl]acetic acid is sourced from PubChem (CID 14623845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).