2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide

C13H16N2O3 — CID 754439

IUPAC2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide
SMILESCC1(C)C[C@@H](CC(=O)Nc2ccccn2)C(=O)O1
InChIInChI=1S/C13H16N2O3/c1-13(2)8-9(12(17)18-13)7-11(16)15-10-5-3-4-6-14-10/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)/t9-/m1/s1
InChIKeyRTXHLBOPZYJIIK-SECBINFHSA-N
MW248.28 g/mol
LogP1.75
Rot. Bonds3

About 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide

2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide (PubChem CID 754439) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide
PubChem CID754439
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide
SMILESCC1(C)C[C@@H](CC(=O)Nc2ccccn2)C(=O)O1
InChIInChI=1S/C13H16N2O3/c1-13(2)8-9(12(17)18-13)7-11(16)15-10-5-3-4-6-14-10/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)/t9-/m1/s1
InChIKeyRTXHLBOPZYJIIK-SECBINFHSA-N
XLogP1.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide
CID 39730442
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 889562
2-(2,3-dihydro-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 110753861
2-(5,5-dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067
5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
CID 3838211
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide
CID 23934530
2-piperidin-4-yl-N-pyridin-2-ylacetamide;dihydrochloride
CID 119827189
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide
CID 969642
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide (CID 754439) is 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide is CC1(C)C[C@@H](CC(=O)Nc2ccccn2)C(=O)O1.
What is the InChIKey of 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide?
The InChIKey is RTXHLBOPZYJIIK-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2)8-9(12(17)18-13)7-11(16)15-10-5-3-4-6-14-10/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)/t9-/m1/s1.
What are the key properties of 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide?
2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide has a molecular weight of 248.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 754439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).