4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one

C13H16N2O3 — CID 112534714

IUPAC4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one
SMILESCOc1cccc(CC(=O)N2CC(N)CC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-18-11-4-2-3-9(5-11)6-12(16)15-8-10(14)7-13(15)17/h2-5,10H,6-8,14H2,1H3
InChIKeyOCEZFIMRQCAYKS-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.32
Rot. Bonds3

About 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one

4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one (PubChem CID 112534714) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one
PubChem CID112534714
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one
SMILESCOc1cccc(CC(=O)N2CC(N)CC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-18-11-4-2-3-9(5-11)6-12(16)15-8-10(14)7-13(15)17/h2-5,10H,6-8,14H2,1H3
InChIKeyOCEZFIMRQCAYKS-UHFFFAOYSA-N
XLogP0.32
TPSA72.63 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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110662993
1-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 129353669
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119464795
1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
CID 136532081
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 120727726
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 62371471

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one (CID 112534714) is 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one is COc1cccc(CC(=O)N2CC(N)CC2=O)c1.
What is the InChIKey of 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one?
The InChIKey is OCEZFIMRQCAYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-4-2-3-9(5-11)6-12(16)15-8-10(14)7-13(15)17/h2-5,10H,6-8,14H2,1H3.
What are the key properties of 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one?
4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one is sourced from PubChem (CID 112534714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).