[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate

C12H15NO4 — CID 14033042

IUPAC[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate
SMILESCN(CCO)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-13(7-8-14)11(15)9-17-12(16)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3
InChIKeyWRKNTBMMMVTKKA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.29
Rot. Bonds5

About [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate

[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate (PubChem CID 14033042) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate
PubChem CID14033042
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate
SMILESCN(CCO)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-13(7-8-14)11(15)9-17-12(16)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3
InChIKeyWRKNTBMMMVTKKA-UHFFFAOYSA-N
XLogP0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate (CID 14033042) is [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate is CN(CCO)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate?
The InChIKey is WRKNTBMMMVTKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(7-8-14)11(15)9-17-12(16)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3.
What are the key properties of [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate?
[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate has a molecular weight of 237.26 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 14033042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).