1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C12H15N3O3 — CID 50874085

IUPAC1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(N)=O)CC2=O)cc1N
InChIInChI=1S/C12H15N3O3/c1-18-10-3-2-8(5-9(10)13)15-6-7(12(14)17)4-11(15)16/h2-3,5,7H,4,6,13H2,1H3,(H2,14,17)
InChIKeyHUEPZTZIHWSCCZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.12
Rot. Bonds3

About 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50874085) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50874085
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(N)=O)CC2=O)cc1N
InChIInChI=1S/C12H15N3O3/c1-18-10-3-2-8(5-9(10)13)15-6-7(12(14)17)4-11(15)16/h2-3,5,7H,4,6,13H2,1H3,(H2,14,17)
InChIKeyHUEPZTZIHWSCCZ-UHFFFAOYSA-N
XLogP0.12
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94075961
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50873701
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7216120

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 50874085) is 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(N)=O)CC2=O)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HUEPZTZIHWSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-10-3-2-8(5-9(10)13)15-6-7(12(14)17)4-11(15)16/h2-3,5,7H,4,6,13H2,1H3,(H2,14,17).
What are the key properties of 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50874085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).