1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid

C18H19NO2 — CID 142847935

IUPAC1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1-c1ccc(N2CCCC2C(=O)O)cc1
InChIInChI=1S/C18H19NO2/c1-13-5-2-3-6-16(13)14-8-10-15(11-9-14)19-12-4-7-17(19)18(20)21/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,21)
InChIKeyDRAUARZQZWWVOH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.72
Rot. Bonds3

About 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid

1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid (PubChem CID 142847935) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid
PubChem CID142847935
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1-c1ccc(N2CCCC2C(=O)O)cc1
InChIInChI=1S/C18H19NO2/c1-13-5-2-3-6-16(13)14-8-10-15(11-9-14)19-12-4-7-17(19)18(20)21/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,21)
InChIKeyDRAUARZQZWWVOH-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid (CID 142847935) is 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid is Cc1ccccc1-c1ccc(N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DRAUARZQZWWVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-5-2-3-6-16(13)14-8-10-15(11-9-14)19-12-4-7-17(19)18(20)21/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,21).
What are the key properties of 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid?
1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 142847935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).