1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid

C15H20N2O4 — CID 79370579

IUPAC1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCOc1cccc(NC(=O)CN2CCC(C(=O)O)C2C)c1
InChIInChI=1S/C15H20N2O4/c1-10-13(15(19)20)6-7-17(10)9-14(18)16-11-4-3-5-12(8-11)21-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyMECNNLQFBJQZOD-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid

1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79370579) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79370579
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCOc1cccc(NC(=O)CN2CCC(C(=O)O)C2C)c1
InChIInChI=1S/C15H20N2O4/c1-10-13(15(19)20)6-7-17(10)9-14(18)16-11-4-3-5-12(8-11)21-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyMECNNLQFBJQZOD-UHFFFAOYSA-N
XLogP1.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
2-methyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79371911
N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66209423
1-[2-(4-chloroanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372355
(3S,4S)-1-[2-(3-methoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953774
2-[2-(aminomethyl)azepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 116640393
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(3-methoxyphenyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499122
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 7952292

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79370579) is 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid is COc1cccc(NC(=O)CN2CCC(C(=O)O)C2C)c1.
What is the InChIKey of 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MECNNLQFBJQZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-13(15(19)20)6-7-17(10)9-14(18)16-11-4-3-5-12(8-11)21-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79370579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).