[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate

C14H17NO4 — CID 2998343

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H17NO4/c16-13(15-9-12-7-4-8-18-12)10-19-14(17)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKeyWWCCCBLLHRDHED-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.14
Rot. Bonds5

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate (PubChem CID 2998343) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate
PubChem CID2998343
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H17NO4/c16-13(15-9-12-7-4-8-18-12)10-19-14(17)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKeyWWCCCBLLHRDHED-UHFFFAOYSA-N
XLogP1.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate 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-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate (CID 2998343) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate is O=C(COC(=O)c1ccccc1)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate?
The InChIKey is WWCCCBLLHRDHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(15-9-12-7-4-8-18-12)10-19-14(17)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate has a molecular weight of 263.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate is sourced from PubChem (CID 2998343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).