1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

C18H23NO4 — CID 2941167

IUPAC1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C18H23NO4/c1-23-14-9-7-12(8-10-14)17-15(18(21)22)11-16(20)19(17)13-5-3-2-4-6-13/h7-10,13,15,17H,2-6,11H2,1H3,(H,21,22)
InChIKeyUNUGZVUJEWGPEL-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.00
Rot. Bonds4

About 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2941167) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2941167
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C18H23NO4/c1-23-14-9-7-12(8-10-14)17-15(18(21)22)11-16(20)19(17)13-5-3-2-4-6-13/h7-10,13,15,17H,2-6,11H2,1H3,(H,21,22)
InChIKeyUNUGZVUJEWGPEL-UHFFFAOYSA-N
XLogP3.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 2941167) is 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is COc1ccc(C2C(C(=O)O)CC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is UNUGZVUJEWGPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-23-14-9-7-12(8-10-14)17-15(18(21)22)11-16(20)19(17)13-5-3-2-4-6-13/h7-10,13,15,17H,2-6,11H2,1H3,(H,21,22).
What are the key properties of 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 317.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2941167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).