ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate

C10H16N2O3 — CID 80580711

IUPACethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H16N2O3/c1-4-15-9(13)7-11-5-6-12(8(2)3)10(11)14/h5-6,8H,4,7H2,1-3H3
InChIKeyNMPDBSDPHCPVPC-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.79
Rot. Bonds4

About ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate

ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate (PubChem CID 80580711) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate
PubChem CID80580711
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H16N2O3/c1-4-15-9(13)7-11-5-6-12(8(2)3)10(11)14/h5-6,8H,4,7H2,1-3H3
InChIKeyNMPDBSDPHCPVPC-UHFFFAOYSA-N
XLogP0.79
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)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 ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate (CID 80580711) is ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate is CCOC(=O)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate?
The InChIKey is NMPDBSDPHCPVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-9(13)7-11-5-6-12(8(2)3)10(11)14/h5-6,8H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate?
ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate is sourced from PubChem (CID 80580711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).