2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

C22H19NO4 — CID 13361994

IUPAC2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc2ccccc2c1C1C(C(=O)O)CC(=O)N1c1ccccc1
InChIInChI=1S/C22H19NO4/c1-27-18-12-11-14-7-5-6-10-16(14)20(18)21-17(22(25)26)13-19(24)23(21)15-8-3-2-4-9-15/h2-12,17,21H,13H2,1H3,(H,25,26)
InChIKeyWUJXZUMRUOOIJT-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.03
Rot. Bonds4

About 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 13361994) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
PubChem CID13361994
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc2ccccc2c1C1C(C(=O)O)CC(=O)N1c1ccccc1
InChIInChI=1S/C22H19NO4/c1-27-18-12-11-14-7-5-6-10-16(14)20(18)21-17(22(25)26)13-19(24)23(21)15-8-3-2-4-9-15/h2-12,17,21H,13H2,1H3,(H,25,26)
InChIKeyWUJXZUMRUOOIJT-UHFFFAOYSA-N
XLogP4.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (CID 13361994) is 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is COc1ccc2ccccc2c1C1C(C(=O)O)CC(=O)N1c1ccccc1.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is WUJXZUMRUOOIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-27-18-12-11-14-7-5-6-10-16(14)20(18)21-17(22(25)26)13-19(24)23(21)15-8-3-2-4-9-15/h2-12,17,21H,13H2,1H3,(H,25,26).
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 361.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 13361994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).