N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C13H22N2O3 — CID 125434829

IUPACN-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCC[C@H]1CCCOC1
InChIInChI=1S/C13H22N2O3/c16-12(9-15-7-1-4-13(15)17)14-6-5-11-3-2-8-18-10-11/h11H,1-10H2,(H,14,16)/t11-/m1/s1
InChIKeyABZVBZOXOSIJOL-LLVKDONJSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds5

About N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 125434829) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID125434829
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCC[C@H]1CCCOC1
InChIInChI=1S/C13H22N2O3/c16-12(9-15-7-1-4-13(15)17)14-6-5-11-3-2-8-18-10-11/h11H,1-10H2,(H,14,16)/t11-/m1/s1
InChIKeyABZVBZOXOSIJOL-LLVKDONJSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 125434829) is N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NCC[C@H]1CCCOC1.
What is the InChIKey of N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is ABZVBZOXOSIJOL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(9-15-7-1-4-13(15)17)14-6-5-11-3-2-8-18-10-11/h11H,1-10H2,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 125434829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).