(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C14H16N2O3 — CID 822055

IUPAC(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](NC3CC3)C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-19-11-6-4-10(5-7-11)16-13(17)8-12(14(16)18)15-9-2-3-9/h4-7,9,12,15H,2-3,8H2,1H3/t12-/m1/s1
InChIKeyDBEPSKCIPJVWBE-GFCCVEGCSA-N
MW260.29 g/mol
LogP1.08
Rot. Bonds4

About (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 822055) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID822055
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](NC3CC3)C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-19-11-6-4-10(5-7-11)16-13(17)8-12(14(16)18)15-9-2-3-9/h4-7,9,12,15H,2-3,8H2,1H3/t12-/m1/s1
InChIKeyDBEPSKCIPJVWBE-GFCCVEGCSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.08
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-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 3135056
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 2949824
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 71669978
(3R)-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 11902520
(3S)-1-(4-methoxyphenyl)-3-[[(2R)-7-oxoazepan-2-yl]amino]pyrrolidine-2,5-dione
CID 99129778
1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2877177
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
1-(4-methoxyphenyl)-3-[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]pyrrolidine-2,5-dione
CID 3799496

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 822055) is (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@@H](NC3CC3)C2=O)cc1.
What is the InChIKey of (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is DBEPSKCIPJVWBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-11-6-4-10(5-7-11)16-13(17)8-12(14(16)18)15-9-2-3-9/h4-7,9,12,15H,2-3,8H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 260.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 822055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).