2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C19H20N2O3 — CID 86287726

IUPAC2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-19(17(22)23)12-7-13-21(19)18(24)20-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,24)(H,22,23)
InChIKeyXGUXHGIAVWUNIN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.82
Rot. Bonds3

About 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86287726) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86287726
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-19(17(22)23)12-7-13-21(19)18(24)20-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,24)(H,22,23)
InChIKeyXGUXHGIAVWUNIN-UHFFFAOYSA-N
XLogP3.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 86287726) is 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XGUXHGIAVWUNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(17(22)23)12-7-13-21(19)18(24)20-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86287726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).