1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid

C14H15NO4 — CID 92601428

IUPAC1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid
SMILESCOc1ccccc1CC(=O)N1CC=C(C(=O)O)C1
InChIInChI=1S/C14H15NO4/c1-19-12-5-3-2-4-10(12)8-13(16)15-7-6-11(9-15)14(17)18/h2-6H,7-9H2,1H3,(H,17,18)
InChIKeyDHRBLVMLIGGXTN-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.09
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid

1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid (PubChem CID 92601428) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid
PubChem CID92601428
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid
SMILESCOc1ccccc1CC(=O)N1CC=C(C(=O)O)C1
InChIInChI=1S/C14H15NO4/c1-19-12-5-3-2-4-10(12)8-13(16)15-7-6-11(9-15)14(17)18/h2-6H,7-9H2,1H3,(H,17,18)
InChIKeyDHRBLVMLIGGXTN-UHFFFAOYSA-N
XLogP1.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564611
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110818064
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 79993746
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72849634
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid (CID 92601428) is 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid is COc1ccccc1CC(=O)N1CC=C(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid?
The InChIKey is DHRBLVMLIGGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-12-5-3-2-4-10(12)8-13(16)15-7-6-11(9-15)14(17)18/h2-6H,7-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid?
1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid is sourced from PubChem (CID 92601428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).