4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one

C9H17NO4 — CID 12898635

IUPAC4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one
SMILESCOC(CC1NC(=O)C1C(C)O)OC
InChIInChI=1S/C9H17NO4/c1-5(11)8-6(10-9(8)12)4-7(13-2)14-3/h5-8,11H,4H2,1-3H3,(H,10,12)
InChIKeyKKBLKLNEAJXDQP-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.51
Rot. Bonds5

About 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one

4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one (PubChem CID 12898635) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one
PubChem CID12898635
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one
SMILESCOC(CC1NC(=O)C1C(C)O)OC
InChIInChI=1S/C9H17NO4/c1-5(11)8-6(10-9(8)12)4-7(13-2)14-3/h5-8,11H,4H2,1-3H3,(H,10,12)
InChIKeyKKBLKLNEAJXDQP-UHFFFAOYSA-N
XLogP-0.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one?
The IUPAC name of 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one (CID 12898635) is 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one?
The canonical SMILES for 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one is COC(CC1NC(=O)C1C(C)O)OC.
What is the InChIKey of 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one?
The InChIKey is KKBLKLNEAJXDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5(11)8-6(10-9(8)12)4-7(13-2)14-3/h5-8,11H,4H2,1-3H3,(H,10,12).
What are the key properties of 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one?
4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one has a molecular weight of 203.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 12898635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).