1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione

C13H16N2O3 — CID 16781666

IUPAC1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1C(N)CN1C(=O)CCC1=O
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)10(14)8-15-12(16)6-7-13(15)17/h2-5,10H,6-8,14H2,1H3
InChIKeyHYGFRAHSXZNBMJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.84
Rot. Bonds4

About 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione

1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione (PubChem CID 16781666) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
PubChem CID16781666
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1C(N)CN1C(=O)CCC1=O
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)10(14)8-15-12(16)6-7-13(15)17/h2-5,10H,6-8,14H2,1H3
InChIKeyHYGFRAHSXZNBMJ-UHFFFAOYSA-N
XLogP0.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212262
3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 16790120
2-[2-amino-2-(2-methoxyphenyl)ethyl]pyridazin-3-one
CID 62850491
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212246
1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680024
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769351
2-(4,4-diethylpiperidin-1-yl)-1-(2-methoxyphenyl)ethanamine
CID 63160864

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione (CID 16781666) is 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione is COc1ccccc1C(N)CN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is HYGFRAHSXZNBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)10(14)8-15-12(16)6-7-13(15)17/h2-5,10H,6-8,14H2,1H3.
What are the key properties of 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione?
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 16781666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).