4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid

C18H24N2O6 — CID 23763717

IUPAC4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCNC(=O)N1C(C(=O)O)CC(C(=O)OC)C1c1ccc(OC)cc1
InChIInChI=1S/C18H24N2O6/c1-4-9-19-18(24)20-14(16(21)22)10-13(17(23)26-3)15(20)11-5-7-12(25-2)8-6-11/h5-8,13-15H,4,9-10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyXYRNWJRTPNUNIT-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.80
Rot. Bonds6

About 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid

4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 23763717) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID23763717
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCNC(=O)N1C(C(=O)O)CC(C(=O)OC)C1c1ccc(OC)cc1
InChIInChI=1S/C18H24N2O6/c1-4-9-19-18(24)20-14(16(21)22)10-13(17(23)26-3)15(20)11-5-7-12(25-2)8-6-11/h5-8,13-15H,4,9-10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyXYRNWJRTPNUNIT-UHFFFAOYSA-N
XLogP1.80
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 23763717) is 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid is CCCNC(=O)N1C(C(=O)O)CC(C(=O)OC)C1c1ccc(OC)cc1.
What is the InChIKey of 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XYRNWJRTPNUNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-4-9-19-18(24)20-14(16(21)22)10-13(17(23)26-3)15(20)11-5-7-12(25-2)8-6-11/h5-8,13-15H,4,9-10H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23763717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).