(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate

C13H15NO4 — CID 2646335

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCCC1)c1ccccc1O
InChIInChI=1S/C13H15NO4/c15-11-6-2-1-5-10(11)13(17)18-9-12(16)14-7-3-4-8-14/h1-2,5-6,15H,3-4,7-9H2
InChIKeyUNSYQJSBWSYIKI-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.17
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate (PubChem CID 2646335) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
PubChem CID2646335
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCCC1)c1ccccc1O
InChIInChI=1S/C13H15NO4/c15-11-6-2-1-5-10(11)13(17)18-9-12(16)14-7-3-4-8-14/h1-2,5-6,15H,3-4,7-9H2
InChIKeyUNSYQJSBWSYIKI-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate (CID 2646335) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate is O=C(OCC(=O)N1CCCC1)c1ccccc1O.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate?
The InChIKey is UNSYQJSBWSYIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-11-6-2-1-5-10(11)13(17)18-9-12(16)14-7-3-4-8-14/h1-2,5-6,15H,3-4,7-9H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate has a molecular weight of 249.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate is sourced from PubChem (CID 2646335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).