2-oxoethyl 2-(dimethylamino)acetate

C6H11NO3 — CID 142750400

IUPAC2-oxoethyl 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)OCC=O
InChIInChI=1S/C6H11NO3/c1-7(2)5-6(9)10-4-3-8/h3H,4-5H2,1-2H3
InChIKeyCJFIETJHMOALMB-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.71
Rot. Bonds4

About 2-oxoethyl 2-(dimethylamino)acetate

2-oxoethyl 2-(dimethylamino)acetate (PubChem CID 142750400) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-oxoethyl 2-(dimethylamino)acetate.

Molecular Properties

Compound Name2-oxoethyl 2-(dimethylamino)acetate
PubChem CID142750400
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-oxoethyl 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)OCC=O
InChIInChI=1S/C6H11NO3/c1-7(2)5-6(9)10-4-3-8/h3H,4-5H2,1-2H3
InChIKeyCJFIETJHMOALMB-UHFFFAOYSA-N
XLogP-0.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxoethyl 2-(dimethylamino)acetate 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 2-oxoethyl 2-(dimethylamino)acetate?
The IUPAC name of 2-oxoethyl 2-(dimethylamino)acetate (CID 142750400) is 2-oxoethyl 2-(dimethylamino)acetate.
What is the SMILES notation for 2-oxoethyl 2-(dimethylamino)acetate?
The canonical SMILES for 2-oxoethyl 2-(dimethylamino)acetate is CN(C)CC(=O)OCC=O.
What is the InChIKey of 2-oxoethyl 2-(dimethylamino)acetate?
The InChIKey is CJFIETJHMOALMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7(2)5-6(9)10-4-3-8/h3H,4-5H2,1-2H3.
What are the key properties of 2-oxoethyl 2-(dimethylamino)acetate?
2-oxoethyl 2-(dimethylamino)acetate has a molecular weight of 145.16 g/mol, XLogP of -0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2-(dimethylamino)acetate is sourced from PubChem (CID 142750400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).