7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid

C20H37NO4 — CID 71387641

IUPAC7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid
SMILESCCCCCC(O)CCC1CN(C)C(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C20H37NO4/c1-3-4-7-10-17(22)14-13-16-15-21(2)20(25)18(16)11-8-5-6-9-12-19(23)24/h16-18,22H,3-15H2,1-2H3,(H,23,24)
InChIKeySJGGDESLWJOPLQ-UHFFFAOYSA-N
MW355.52 g/mol
LogP3.84
Rot. Bonds14

About 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid

7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid (PubChem CID 71387641) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid.

Molecular Properties

Compound Name7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid
PubChem CID71387641
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Name7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid
SMILESCCCCCC(O)CCC1CN(C)C(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C20H37NO4/c1-3-4-7-10-17(22)14-13-16-15-21(2)20(25)18(16)11-8-5-6-9-12-19(23)24/h16-18,22H,3-15H2,1-2H3,(H,23,24)
InChIKeySJGGDESLWJOPLQ-UHFFFAOYSA-N
XLogP3.84
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid?
The IUPAC name of 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid (CID 71387641) is 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid.
What is the SMILES notation for 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid?
The canonical SMILES for 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid is CCCCCC(O)CCC1CN(C)C(=O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid?
The InChIKey is SJGGDESLWJOPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4/c1-3-4-7-10-17(22)14-13-16-15-21(2)20(25)18(16)11-8-5-6-9-12-19(23)24/h16-18,22H,3-15H2,1-2H3,(H,23,24).
What are the key properties of 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid?
7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid has a molecular weight of 355.52 g/mol, XLogP of 3.84, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl]heptanoic acid is sourced from PubChem (CID 71387641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).