N-(2-methoxyethyl)oxetane-2-carboxamide

C7H13NO3 — CID 131222767

IUPACN-(2-methoxyethyl)oxetane-2-carboxamide
SMILESCOCCNC(=O)C1CCO1
InChIInChI=1S/C7H13NO3/c1-10-5-3-8-7(9)6-2-4-11-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyHTTKAPOITOKNKD-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.46
Rot. Bonds4

About N-(2-methoxyethyl)oxetane-2-carboxamide

N-(2-methoxyethyl)oxetane-2-carboxamide (PubChem CID 131222767) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(2-methoxyethyl)oxetane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)oxetane-2-carboxamide
PubChem CID131222767
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(2-methoxyethyl)oxetane-2-carboxamide
SMILESCOCCNC(=O)C1CCO1
InChIInChI=1S/C7H13NO3/c1-10-5-3-8-7(9)6-2-4-11-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyHTTKAPOITOKNKD-UHFFFAOYSA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)oxetane-2-carboxamide 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 N-(2-methoxyethyl)oxetane-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)oxetane-2-carboxamide (CID 131222767) is N-(2-methoxyethyl)oxetane-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)oxetane-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)oxetane-2-carboxamide is COCCNC(=O)C1CCO1.
What is the InChIKey of N-(2-methoxyethyl)oxetane-2-carboxamide?
The InChIKey is HTTKAPOITOKNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-5-3-8-7(9)6-2-4-11-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(2-methoxyethyl)oxetane-2-carboxamide?
N-(2-methoxyethyl)oxetane-2-carboxamide has a molecular weight of 159.18 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)oxetane-2-carboxamide is sourced from PubChem (CID 131222767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).