1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid

C14H17NO4 — CID 63006760

IUPAC1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(CC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)8-13(16)15-7-6-11(9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyAQCMFUUPEKUWKD-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.17
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 63006760) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID63006760
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(CC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)8-13(16)15-7-6-11(9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyAQCMFUUPEKUWKD-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
CID 77041744
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid (CID 63006760) is 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid is COc1ccc(CC(=O)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AQCMFUUPEKUWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)8-13(16)15-7-6-11(9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63006760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).