2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid

C18H19NO3 — CID 53435681

IUPAC2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CCN2c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-22-15-9-7-13(8-10-15)17-16(18(20)21)11-12-19(17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,20,21)
InChIKeyDAQAMJXYDDBCLO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid

2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 53435681) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid
PubChem CID53435681
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CCN2c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-22-15-9-7-13(8-10-15)17-16(18(20)21)11-12-19(17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,20,21)
InChIKeyDAQAMJXYDDBCLO-UHFFFAOYSA-N
XLogP3.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 57363347
(2S,3R)-1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 124917054
(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
CID 10961096
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
2-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 83841819
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 142751983
(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid (CID 53435681) is 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid is COc1ccc(C2C(C(=O)O)CCN2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is DAQAMJXYDDBCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-15-9-7-13(8-10-15)17-16(18(20)21)11-12-19(17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid?
2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 53435681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).