5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

C18H17Cl2NO3 — CID 101074729

IUPAC5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3Cl)NC2C(=O)O)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-24-12-5-2-10(3-6-12)14-9-16(21-17(14)18(22)23)13-7-4-11(19)8-15(13)20/h2-8,14,16-17,21H,9H2,1H3,(H,22,23)
InChIKeyKWGSBSYJRWGHBE-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.27
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid (PubChem CID 101074729) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
PubChem CID101074729
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3Cl)NC2C(=O)O)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-24-12-5-2-10(3-6-12)14-9-16(21-17(14)18(22)23)13-7-4-11(19)8-15(13)20/h2-8,14,16-17,21H,9H2,1H3,(H,22,23)
InChIKeyKWGSBSYJRWGHBE-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid (CID 101074729) is 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid is COc1ccc(C2CC(c3ccc(Cl)cc3Cl)NC2C(=O)O)cc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KWGSBSYJRWGHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-24-12-5-2-10(3-6-12)14-9-16(21-17(14)18(22)23)13-7-4-11(19)8-15(13)20/h2-8,14,16-17,21H,9H2,1H3,(H,22,23).
What are the key properties of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid?
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 366.24 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 101074729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).