[2-(dimethylamino)-2-oxoethyl] acetate

C6H11NO3 — CID 13096286

IUPAC[2-(dimethylamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(C)C
InChIInChI=1S/C6H11NO3/c1-5(8)10-4-6(9)7(2)3/h4H2,1-3H3
InChIKeyCWYWDHYMHWDYPR-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.36
Rot. Bonds2

About [2-(dimethylamino)-2-oxoethyl] acetate

[2-(dimethylamino)-2-oxoethyl] acetate (PubChem CID 13096286) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] acetate
PubChem CID13096286
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[2-(dimethylamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(C)C
InChIInChI=1S/C6H11NO3/c1-5(8)10-4-6(9)7(2)3/h4H2,1-3H3
InChIKeyCWYWDHYMHWDYPR-UHFFFAOYSA-N
XLogP-0.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(dimethylamino)-2-oxoethyl] 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-(dimethylamino)-2-oxoethyl] acetate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] acetate (CID 13096286) is [2-(dimethylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] acetate is CC(=O)OCC(=O)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] acetate?
The InChIKey is CWYWDHYMHWDYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(8)10-4-6(9)7(2)3/h4H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] acetate?
[2-(dimethylamino)-2-oxoethyl] acetate has a molecular weight of 145.16 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 13096286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).